SCOPUS 정보 검색 플랫폼

Computer Physics Communications

Volumn 128, Issue 1, 2000, Pages 377-385

NWChem: exploiting parallelism in molecular simulations

(3) Straatsma, T P a Philippopoulos, M b McCammon, J A b

a PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

b UNIVERSITY OF CALIFORNIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; COMPUTATIONAL COMPLEXITY; COMPUTER SOFTWARE; CONTINUUM MECHANICS; DATA STRUCTURES; MOLECULAR DYNAMICS; PARALLEL PROCESSING SYSTEMS; QUANTUM THEORY;

ATOM REDISTRIBUTION; COMPUTATIONAL CHEMISTRY; DOMAIN DECOMPOSITION; LOAD BALANCING; SOFTWARE PACKAGE NWCHEM;

COMPUTER SIMULATION;

EID: 0034625283 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-4655(00)00054-0 Document Type: Article

Times cited : (37)

References (20)

1
- 84986487073
- J.F. Janak, P.C. Pattnaik, J. Comp. Chem. 13 (1992) 533-538.
- (1992) J. Comp. Chem. , vol.13 , pp. 533-538
- Janak, J.F.¹ Pattnaik, P.C.²

2
- 84986435883
- J.F. Janak, P.C. Pattnaik, J. Comp. Chem. 13 (1992) 1098-1102.
- (1992) J. Comp. Chem. , vol.13 , pp. 1098-1102
- Janak, J.F.¹ Pattnaik, P.C.²

3
- 0002025619
- S.J. Plimpton, B.A. Hendrickson, G.S. Heffelfinger, in: Proc. 6th SIAM Conference on Parallel Processing for Scientific Computing, 1993, pp. 178-182.
- (1993) Proc. 6th SIAM Conference on Parallel Processing for Scientific Computing , pp. 178-182
- Plimpton, S.J.¹ Hendrickson, B.A.² Heffelfinger, G.S.³

4
- 0028583190
- IEEE Computer Society
- T.W. Clark, R.V. Hanxleden, J.A. McCammon, L.R. Scott, in: Scalable High Performance Computing Conference, IEEE Computer Society, 1994, pp. 95-102.
- (1994) Scalable High Performance Computing Conference , pp. 95-102
- Clark, T.W.¹ Hanxleden, R.V.² McCammon, J.A.³ Scott, L.R.⁴

5
- 0000259770
- J.E. Mertz, D.J. Tobias, C.L. Brooks, U.C. Singh, J. Comp. Chem. 12 (1991) 1270-1277.
- (1991) J. Comp. Chem. , vol.12 , pp. 1270-1277
- Mertz, J.E.¹ Tobias, D.J.² Brooks, C.L.³ Singh, U.C.⁴

6
- 0007036955
- S.L. Lin, J. Mellor-Crummey, B.M. Pettitt, G.N. Phillips, J. Comp. Chem. 13 (1992) 1022-1035.
- (1992) J. Comp. Chem. , vol.13 , pp. 1022-1035
- Lin, S.L.¹ Mellor-Crummey, J.² Pettitt, B.M.³ Phillips, G.N.⁴

7
- 0008495546
- S.E. Debolt, P.A. Kollman, J. Comp. Chem. 14 (1993) 312-329.
- (1993) J. Comp. Chem. , vol.14 , pp. 312-329
- Debolt, S.E.¹ Kollman, P.A.²

8
- 0024715940
- A.R.C. Raine, D. Fincham, W. Smith, Comput. Phys. Commun. 55 (1989) 13-30.
- (1989) Comput. Phys. Commun. , vol.55 , pp. 13-30
- Raine, A.R.C.¹ Fincham, D.² Smith, W.³

9
- 0002510891
- P. Ballestrero, P. Baglietto, C. Ruggiero, J. Comp. Chem. 17 (1996) 469-475.
- (1996) J. Comp. Chem. , vol.17 , pp. 469-475
- Ballestrero, P.¹ Baglietto, P.² Ruggiero, C.³

10
- 0001788169
- D. Brown, J.H.R. Clarke, M. Okuda, T. Yamazaki, Comput. Phys. Commun. 74 (1993) 67-80.
- (1993) Comput. Phys. Commun. , vol.74 , pp. 67-80
- Brown, D.¹ Clarke, J.H.R.² Okuda, M.³ Yamazaki, T.⁴

11
- 0026533670
- M.A. Shifman, A. Windemuth, K. Schulten, P.L. Miller, Comput. Biomed. Res. 25 (1992) 168-180.
- (1992) Comput. Biomed. Res. , vol.25 , pp. 168-180
- Shifman, M.A.¹ Windemuth, A.² Schulten, K.³ Miller, P.L.⁴

12
- 84986531984
- E. Swanson, T.P. Lybrand, J. Comp. Chem. 16 (1995) 1131-1140.
- (1995) J. Comp. Chem. , vol.16 , pp. 1131-1140
- Swanson, E.¹ Lybrand, T.P.²

13
- 0033077857
- Z. Fang, A.D.J. Haymet, W. Shinoda, S. Okazaki, Comput. Phys. Commun. 116 (1999) 295-310.
- (1999) Comput. Phys. Commun. , vol.116 , pp. 295-310
- Fang, Z.¹ Haymet, A.D.J.² Shinoda, W.³ Okazaki, S.⁴

14
- 85031566293
- ftp.tcg.anl.gov
- R.J. Harrison, Theoretical Chemistry Group Message-passing Toolkit, ftp.tcg.anl.gov.
- Theoretical Chemistry Group Message-passing Toolkit
- Harrison, R.J.¹

15
- 0001535261
- J. Nieplocha, R.J. Harrison, R.J. Littlefield, J. Supercomput. 10 (1996) 197-220.
- (1996) J. Supercomput. , vol.10 , pp. 197-220
- Nieplocha, J.¹ Harrison, R.J.² Littlefield, R.J.³

16
- 0001982838
- M.R.S. Pinches, D.J. Tildeley, W. Smith, Molecular Simulation 6 (1991) 51-87.
- (1991) Molecular Simulation , vol.6 , pp. 51-87
- Pinches, M.R.S.¹ Tildeley, D.J.² Smith, W.³

17
- 84986533229
- R.D. Skeel, J. Comp. Chem. 12 (1991) 175-179.
- (1991) J. Comp. Chem. , vol.12 , pp. 175-179
- Skeel, R.D.¹

18
- 84963333757
- D. Finsham, P.J. Mitchell, Molecular Simulation 7 (1991) 135-153.
- (1991) Molecular Simulation , vol.7 , pp. 135-153
- Finsham, D.¹ Mitchell, P.J.²

19
- 0001782767
- B.R. Brooks, M. Hodoscek, Chem. Design Automat. News 17 (1992) 16.
- (1992) Chem. Design Automat. News , vol.17 , pp. 16
- Brooks, B.R.¹ Hodoscek, M.²

20
- 33645961739
- U. Essmann, L. Perera, M.L. Berkowitz, T. Darden, H. Lee, L.G. Pedersen, J. Chem. Phys. 103 (1995) 8577-8593.
- (1995) J. Chem. Phys. , vol.103 , pp. 8577-8593
- Essmann, U.¹ Perera, L.² Berkowitz, M.L.³ Darden, T.⁴ Lee, H.⁵ Pedersen, L.G.⁶

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