SCOPUS 정보 검색 플랫폼

Computer Physics Communications

Volumn 124, Issue 1, 2000, Pages 49-59

Parallel molecular dynamics using OPENMP on a shared memory machine

(2) Couturier, Raphaël a Chipot, Christophe b

a LORIA (France)

b UNIVERSITÉ DE LORRAINE (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DATA STORAGE EQUIPMENT; FORTRAN (PROGRAMMING LANGUAGE); PARALLEL PROCESSING SYSTEMS; PROGRAM COMPILERS;

DISTRIBUTED-SHARED MEMORY;

MOLECULAR DYNAMICS;

EID: 0034650141 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-4655(99)00432-4 Document Type: Article

Times cited : (21)

References (36)

1
- 0003451443
- Clarendon Press, Oxford
- M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
- (1987) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

2
- 0003576136
- Wiley-Interscience, New York
- J.M. Haile, Molecular Dynamics Simulation: Elementary Methods (Wiley-Interscience, New York, 1992).
- (1992) Molecular Dynamics Simulation: Elementary Methods
- Haile, J.M.¹

3
- 84870726202
- Academic Press, San Diego
- D. Frenkel, B. Smit, Understanding Molecular Simulations: From Algorithms to Applications (Academic Press, San Diego, 1996).
- (1996) Understanding Molecular Simulations: From Algorithms to Applications
- Frenkel, D.¹ Smit, B.²

4
- 0026800714
- K.V. Damodaran, K.M. Merz Jr., B.P. Gaber, Biochemistry 31 (1992) 7656-7664.
- (1992) Biochemistry , vol.31 , pp. 7656-7664
- Damodaran, K.V.¹ Merz K.M., Jr.² Gaber, B.P.³

5
- 0027515072
- R.M. Venable, Y. Zhang, B.J. Hardy, R.W. Pastor, Science 262 (1993) 223-226.
- (1993) Science , vol.262 , pp. 223-226
- Venable, R.M.¹ Zhang, Y.² Hardy, B.J.³ Pastor, R.W.⁴

6
- 0001008704
- H. Heller, M. Schaefer, K. Schulten, J. Phys. Chem. 97 (1993) 8343-8360.
- (1993) J. Phys. Chem. , vol.97 , pp. 8343-8360
- Heller, H.¹ Schaefer, M.² Schulten, K.³

7
- 0028677654
- M. Wilson, A. Pohorille, J. Amer. Chem. Soc. 116 (1994) 1490-1501.
- (1994) J. Amer. Chem. Soc. , vol.116 , pp. 1490-1501
- Wilson, M.¹ Pohorille, A.²

8
- 0029099308
- S.-W. Chiu, M. Clark, V. Balaji, S. Subramaniam, H.L. Scott, E. Jakobsson, Biophys. J. 69 (1995) 1230-1245.
- (1995) Biophys. J. , vol.69 , pp. 1230-1245
- Chiu, S.-W.¹ Clark, M.² Balaji, V.³ Subramaniam, S.⁴ Scott, H.L.⁵ Jakobsson, E.⁶

9
- 0000112789
- D.P. Tieleman, H.J.C. Berendsen, J. Chem. Phys. 105 (1996) 4871-4880.
- (1996) J. Chem. Phys. , vol.105 , pp. 4871-4880
- Tieleman, D.P.¹ Berendsen, H.J.C.²

10
- 0031860932
- D.P. Tieleman, HJ.C. Berendsen, Biophys. J. 74 (1998) 2786-2801.
- (1998) Biophys. J. , vol.74 , pp. 2786-2801
- Tieleman, D.P.¹ Berendsen, H.J.C.²

11
- 0002467378
- S. Plimpton, J. Comput. Phys. 117 (1995) 1-19.
- (1995) J. Comput. Phys. , vol.117 , pp. 1-19
- Plimpton, S.¹

12
- 0032561237
- Y. Duan, P.A. Kollman, Science 282 (1998) 740-744.
- (1998) Science , vol.282 , pp. 740-744
- Duan, Y.¹ Kollman, P.A.²

13
- 0026997790
- Evaluating parallel languages for molecular dynamics computations
- IEEE Computer Society Press, Washington, DC
- T.W. Clark, R. van Hanxleden, K. Kennedy, C. Koelbel, L. Ridgway Scott, Evaluating parallel languages for molecular dynamics computations, in: Scalable High Performance Computing Conference - SHPCC92 (IEEE Computer Society Press, Washington, DC, 1992) pp. 26-29.
- (1992) Scalable High Performance Computing Conference - SHPCC92 , pp. 26-29
- Clark, T.W.¹ Van Hanxleden, R.² Kennedy, K.³ Koelbel, C.⁴ Ridgway Scott, L.⁵

14
- 0001788169
- D. Brown, J.H.R. Clarke, M. Okuda, T. Yamazaki, Comput. Phys. Comm. 74 (1993) 67-80.
- (1993) Comput. Phys. Comm. , vol.74 , pp. 67-80
- Brown, D.¹ Clarke, J.H.R.² Okuda, M.³ Yamazaki, T.⁴

15
- 0343204082
- K. Esselink, P.A.J. Hilbers, Comput. Phys. Comm. 106 (1993) 101-107.
- (1993) Comput. Phys. Comm. , vol.106 , pp. 101-107
- Esselink, K.¹ Hilbers, P.A.J.²

16
- 0002635829
- K. Esselink, P.A.J. Hilbers, Comput. Phys. Comm. 106 (1993) 108-114.
- (1993) Comput. Phys. Comm. , vol.106 , pp. 108-114
- Esselink, K.¹ Hilbers, P.A.J.²

17
- 0031187898
- D. Brown, H. Minoux, B. Maigret, Comput. Phys. Comm. 103 (1997) 170-186.
- (1997) Comput. Phys. Comm. , vol.103 , pp. 170-186
- Brown, D.¹ Minoux, H.² Maigret, B.³

18
- 0031574512
- L. Nyland, J. Prins, R.Y. Huai, J. Hermans, H.C. Kum, L. Wang, J. Parall. Distrib. Comp. 47 (1997) 125-138.
- (1997) J. Parall. Distrib. Comp. , vol.47 , pp. 125-138
- Nyland, L.¹ Prins, J.² Huai, R.Y.³ Hermans, J.⁴ Kum, H.C.⁵ Wang, L.⁶

19
- 85031589799
- Orlando, USA
- SC98, 10th Anniversary: High Performance Networking and Computing Conference, Orlando, USA, 1998 (see http://www.top500.org/).
- (1998) 10th Anniversary: High Performance Networking and Computing Conference

20
- 0030627746
- E. Demchuk, D. Bashford, D.A. Case, Folding Des. 2 (1997) 35-46.
- (1997) Folding Des. , vol.2 , pp. 35-46
- Demchuk, E.¹ Bashford, D.² Case, D.A.³

21
- 0032584783
- X. Daura, B. Jaun, D. Seebach, W.F. van Gunsteren, A.E. Mark, J. Mol. Biol. 280 (1998) 925-932.
- (1998) J. Mol. Biol. , vol.280 , pp. 925-932
- Daura, X.¹ Jaun, B.² Seebach, D.³ Van Gunsteren, W.F.⁴ Mark, A.E.⁵

22
- 0032567163
- C. Chipot, A. Pohorille, J. Amer. Chem. Soc. 120 (1998) 11912-11924.
- (1998) J. Amer. Chem. Soc. , vol.120 , pp. 11912-11924
- Chipot, C.¹ Pohorille, A.²

23
- 0003417929
- MIT Press
- W. Gropp, E. Lusk, A. Skjellum, Using MPI: Portable Parallel Programming with the Message Passing Interface (MIT Press, 1994).
- (1994) Using MPI: Portable Parallel Programming with the Message Passing Interface
- Gropp, W.¹ Lusk, E.² Skjellum, A.³

24
- 0003637465
- MIT Press
- A. Geist, A. Beguelin, J. Dongarra, W. Jiang, R. Manchek, V. Sunderam, PVM: A Users' Guide and Tutorial for Networked Parallel Computing (MIT Press, 1994).
- (1994) PVM: A Users' Guide and Tutorial for Networked Parallel Computing
- Geist, A.¹ Beguelin, A.² Dongarra, J.³ Jiang, W.⁴ Manchek, R.⁵ Sunderam, V.⁶

25
- 0000259770
- J.E. Mertz, D.J. Tobias, C.L. Brooks III, U.C. Singh, J. Comput. Chem. 12 (1991) 1270-1277.
- (1991) J. Comput. Chem. , vol.12 , pp. 1270-1277
- Mertz, J.E.¹ Tobias, D.J.² Brooks C.L. III³ Singh, U.C.⁴

26
- 0001782767
- B.R. Brooks, M. Hodošček, Chem. Design Automat. News 7 (1992) 16-22.
- (1992) Chem. Design Automat. News , vol.7 , pp. 16-22
- Brooks, B.R.¹ Hodošček, M.²

27
- 0003554141
- OPENMP Fortran Application Program Interface, 1997 (see http://www.openmp.org/).
- (1997) OPENMP Fortran Application Program Interface

28
- 0003559387
- White Paper: OPENMP: A Proposed Standard API for Shared Memory Programming, 1997 (see http://www.openmp.org/).
- (1997) White Paper: OPENMP: A Proposed Standard API for Shared Memory Programming

29
- 0003599880
- NASA - Ames Research Center, Moffett Field, CA 94035-1000
- B. Owenson, M.A. Wilson, A. Pohorille, COSMOS - A Software Package for Computer Simulations of Molecular Systems, NASA - Ames Research Center, Moffett Field, CA 94035-1000, 1987.
- (1987) COSMOS - A Software Package for Computer Simulations of Molecular Systems
- Owenson, B.¹ Wilson, M.A.² Pohorille, A.³

30
- 85031585066
- Parallelization of a Monte Carlo simulation of a system of spins
- Las Vegas, H.R. Arabnia (Ed.)
- R. Couturier, D. Méry, Parallelization of a Monte Carlo simulation of a system of spins, in: Parallel and Distributed Processing Techniques and Applications - PDPTA'98, Las Vegas, H.R. Arabnia (Ed.) (1998).
- (1998) Parallel and Distributed Processing Techniques and Applications - PDPTA'98
- Couturier, R.¹ Méry, D.²

31
- 33646940952
- J. Ryckaert, G. Cicotti, H.J.C. Berendsen, J. Comput. Phys. 23 (1977) 327-341.
- (1977) J. Comput. Phys. , vol.23 , pp. 327-341
- Ryckaert, J.¹ Cicotti, G.² Berendsen, H.J.C.³

32
- 0004016501
- W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J. Chem. Phys. 79 (1983) 926-935.
- (1983) J. Chem. Phys. , vol.79 , pp. 926-935
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

33
- 0029011701
- W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz Jr., D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.C. Caldwell, P.A. Kollman, J. Amer. Chem. Soc. 117 (1995) 5179-5197.
- (1995) J. Amer. Chem. Soc. , vol.117 , pp. 5179-5197
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz K.M., Jr.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.C.⁹ Kollman, P.A.¹⁰

34
- 0033535937
- E. Rogalska, M. Rogalski, T. Gulik-Krzywicki, A. Gulik, C. Chipot, Proc. Natl. Acad. Sci. USA 96 (1999) 6577-6580.
- (1999) Proc. Natl. Acad. Sci. USA , vol.96 , pp. 6577-6580
- Rogalska, E.¹ Rogalski, M.² Gulik-Krzywicki, T.³ Gulik, A.⁴ Chipot, C.⁵

35
- 0024280716
- J.F. Nagle, M.C. Wiener, Biochim. Biophys. Acta 942 (1993) 1-10.
- (1993) Biochim. Biophys. Acta , vol.942 , pp. 1-10
- Nagle, J.F.¹ Wiener, M.C.²

36
- 0030999097
- O. Berger, O. Edholm, F. Jähnig, Biophys. J. 72 (1997) 2002-2013.
- (1997) Biophys. J. , vol.72 , pp. 2002-2013
- Berger, O.¹ Edholm, O.² Jähnig, F.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.