论文信息 - Comparison of link-cell and neighbourhood tables on a range of computers

Comparison of link-cell and neighbourhood tables on a range of computers

Abstract The recent improvement to the link-cell method (Comput. Phys. Commun. 60 (1990) 195), making it faster on a scalar computer than the traditional neighbour table (NT) method, was tested on different vectorial computers. The efficiency of both methods depends greatly on the particular processor architecture. In contrast to scalar computer results, the NT method was found to be better on the vectorial computers.

Juan J. Morales | J. Morales | M. J. Nuevo

[1] Juan J. Morales,et al. Efficiency test of the traditonal MD and the link-cell methods , 1989 .

[2] L. Verlet. Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .

[3] D. C. Rapaport,et al. Large-scale molecular dynamics simulation using vector and parallel computers , 1988 .

[4] Juan J. Morales,et al. A technique for improving the link-cell method , 1990 .

[5] J. Banavar,et al. Computer Simulation of Liquids , 1988 .

[6] Kurt Kremer,et al. Vectorized link cell Fortran code for molecular dynamics simulations for a large number of particles , 1989 .

[7] D. Tildesley,et al. Multiple time-step methods in molecular dynamics , 1978 .

[8] R W Hockney,et al. Computer Simulation Using Particles , 1966 .

[9] B. Quentrec,et al. New method for searching for neighbors in molecular dynamics computations , 1973 .

[10] Martin Schoen,et al. Structure of a simple molecular dynamics FORTRAN program optimized for CRAY vector processing computers , 1989 .

[11] Florian Müller-Plathe,et al. Parallelising a molecular dynamics algorithm on a multi-processor workstation , 1990 .