Abstract
We report about molecular dynamics simulations on a virtually shared-memory parallel computer (KSR1-32). Applications comprise massive runs of several nanoseconds simulation-time with models using nearest-neighbour pair-interactions in the study of the dynamics close to the glass transition, and modelling of the atomistic structure of amorphous and liquid metals, using more involved interaction-potentials. Satisfactory parallelization, optimized to small sample sizes, may be achieved in both types of simulations.
Preview
Unable to display preview. Download preview PDF.
References
H.Sieber: unpublished, Diplomawork, University Göttingen, 1992
B.Kiefer: unpublished, Diplomawork, University Göttingen, 1994
R.M. Nieminen, M.J. Puska (eds.): ”Many-atom interactions in solids” Springer, Berlin [etc.] 1990
J.A.Moriarty: Phys.Rev.B 38 (1988) 3188
C.W. Gear: ”Numerical Initial Value Problems in Ordinary Differential Equations” Prentice-Hall, Englewood Cliffs, N.J. 1971
H. Teichler: Phys.stat.sol.(b) 172 (1992) 325
A.Ahmad and L.Cohen: J.Comput.Phys. 12 (1973) 389.
W.B.Streett and D.J.Tildesley: Mol.Phys. 35 (1978) 635
A.Nakano, P.Vashishta and R.K.Kalia: Comput.Phys.Commun. 77 (1993) 303
Ch.Hausleitner and J.Hafner: Phys.Rev.B 45 (1992) 115, 118
J.A. Moriarty: Phys.Rev.B 42 (1990) 1609
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 1994 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Rößler, U.K., Teichler, H. (1994). Parallel molecular dynamics simulations of liquid and amorphous metals. In: Gentzsch, W., Harms, U. (eds) High-Performance Computing and Networking. HPCN-Europe 1994. Lecture Notes in Computer Science, vol 796. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0020384
Download citation
DOI: https://doi.org/10.1007/BFb0020384
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-57980-9
Online ISBN: 978-3-540-48406-6
eBook Packages: Springer Book Archive