Computer Simulations of Liquids, M. P. Allen and D. J. Tildesley. Clarendon Press, Oxford (1987). Home/Search Document Not in Database Summary Related Articles Check |
This paper is cited in the following contexts:
A High Performance Communications and Memory.. - Beazley, Lomdahl, .. (1994) (3 citations) (Correct)
....code portability. We have been able to speed up our original code by a factor of ten and we feel that our modifications may be useful in optimizing the performance of other message passing C applications on the CM 5. 1 Introduction For several decades, the method of molecular dynamics (MD)[1] has been a useful technique for studying the dynamical properties of solids and liquids. In a molecular dynamics simulation, the motion of a large collection of N atoms is modeled directly by solving Newton s equations of motion. This general N body problem involves the calculation of N (N ....
Computer Simulations of Liquids, M. P. Allen and D. J. Tildesley. Clarendon Press, Oxford (1987).
Message-Passing Multi-Cell Molecular Dynamics on the.. - Beazley, Lomdahl (1993) (21 citations) (Correct)
....a scaling equation which agrees well with actually observed timings. To appear in Parallel Computing (1993) Present address: Department of Mathematics, University of Oregon, Eugene, OR 97403. y To whom correspondence should be addressed. 1 Introduction The molecular dynamics (MD) method [1, 2, 3] has been known for several decades and has been used successfully in atomistic simulation models of thousands of interacting particles to describe structural and dynamical properties of simple physical systems, such as liquids and solids. However, the application of MD to realistic problems from ....
....step is a minor part of the overall computation process compared to the effort involved in calculating forces. We have implemented the Verlet al..gorithm and a stochastic Runge Kutta algorithm. The Verlet al..gorithm is a multi step integrator requiring only one force evaluation per time step [1, 2]. Although the algorithm is a multi step integrator, it has the advantage of being self starting since only the positions and velocities are needed initially. A second order Runge Kutta scheme that has been adapted to solve stochastic differential equations for Langevin dynamics [15] has also been ....
Computer Simulations of Liquids, M. P. Allen and D. J. Tildesley. Clarendon Press, Oxford (1987).
GFlops Molecular Dynamics on the Connection Machine 5 - Peter Lomdahl (1993) (14 citations) (Correct)
....communication) in the range of 47 50 GFlops on a 1024 node CM 5 with vector units (VUs) The speed of the code scales linearly with the number of processors and with the number of particles and shows 95 parallel efficiency in the speedup. 1 Introduction The use of molecular dynamics (MD)[1] to study dynamical properties of solids and liquids has been known for decades, but it is only the recent proliferation of powerful massively parallel computers that begins to makes detailed studies of realistically sized systems possible. A cube of material 1000 atoms on the side measures ....
Computer Simulations of Liquids, M. P. Allen and D. J. Tildesley. Clarendon Press, Oxford (1987).
Online articles have much greater impact More about CiteSeer.IST Add search form to your site Submit documents Feedback
CiteSeer.IST - Copyright Penn State and NEC