Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi

Journal of Computational Chemistry

Volumn 33, Issue 24, 2012, Pages 1960-1966

  Li, Chuan ^a   Li, Lin ^a   Zhang, Jie ^a,b   Alexov, Emil ^a  

^a CLEMSON UNIVERSITY   (United States)

^b AMRL   (United States)

Author keywords

DelPhi; electrostatics; Gauss Seidel iteration; parallel computing; Poisson Boltzmann equation

Indexed keywords

COMPUTATIONAL TIME; COMPUTING UNITS; DELPHI; ELECTROSTATIC POTENTIAL DISTRIBUTION; ELECTROSTATIC POTENTIALS; EXACT METHODS; FINITE DIFFERENCE; GAUSS SEIDEL ITERATION; GAUSS-SEIDEL; GRID-BASED ALGORITHMS; ITERATIVE NUMERICAL METHOD; ITERATIVE PROCEDURES; JACOBI METHODS; LINEAR FUNCTIONS; PARALLELIZATIONS; POISSON-BOLTZMANN EQUATIONS; SERIAL CODES; SUPRAMOLECULAR STRUCTURE; SYSTEM OF EQUATIONS;

DISSOCIATION; ITERATIVE METHODS; MOLECULAR BIOLOGY; PARALLEL ARCHITECTURES; PARALLEL PROCESSING SYSTEMS; POISSON EQUATION;

ELECTROSTATICS;

ALGORITHM; ARTICLE; BIOLOGY; COMPUTER PROGRAM; MATHEMATICAL COMPUTING; METHODOLOGY; STATIC ELECTRICITY; THERMODYNAMICS;

ALGORITHMS; COMPUTATIONAL BIOLOGY; NUMERICAL ANALYSIS, COMPUTER-ASSISTED; SOFTWARE; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84864686618     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23033     Document Type: Article

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