Pseudorandom number generator for massively parallel molecular-dynamics simulations

Journal Article · Mon Aug 01 04:00:00 EDT 1994 · Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States)

DOI:https://doi.org/10.1103/PhysRevE.50.1607· OSTI ID:6999838

Holian, B L ^[1]; Percus, O E ^[2]; Warnock, T T ^[1]; Whitlock, P A ^[3]

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1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
2. Courant Institute of Mathematical Science, New York University, 251 Mercer Street, New York, New York 10012 (United States)
3. Computer and Information Sciences Department, Brooklyn College, 2900 Bedford Avenue, Brooklyn, New York 11210 (United States)

A class of uniform pseudorandom number generators is proposed for modeling and simulations on massively parallel computers. The algorithm is simple, nonrecursive, and is easily transported to serial or vector computers. We have tested the procedure for uniformity, independence, and correlations by several methods. Related, less complex sequences passed some of these tests well enough; however, inadequacies were revealed by tests for correlations and in an interesting application, namely, annealing from an initial lattice that is mechanically unstable. In the latter case, initial velocities chosen by a random number generator that is not sufficiently random lead quickly to unphysical regularity in grain structure. The new class of generators passes this dynamical diagnostic for unwanted correlations.

• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 6999838
• Journal Information: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States), Journal Name: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States) Vol. 50:2; ISSN PLEEE8; ISSN 1063-651X
• Country of Publication: United States
• Language: English

Related Subjects

661300* -- Other Aspects of Physical Science-- (1992-)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ALGORITHMS
ANNEALING
CALCULATION METHODS
COMPUTER CALCULATIONS
HEAT TREATMENTS
MATHEMATICAL LOGIC
MOLECULAR ORBITAL METHOD
PARALLEL PROCESSING
PROGRAMMING
RANDOM NUMBER GENERATORS