Abstract
In this paper we compare efficiency results for molecular dynamics simulations obtained on multiprocessor supercomputers: Convex Exemplar SPP1000/XA and SPP1200/XA, Intel Paragon XP/S and Connection Machine 5 using two approaches — data-parallel programming and message-passing paradigm.
This is a preview of subscription content, log in via an institution to check access.
Preview
Unable to display preview. Download preview PDF.
References
Kumar, V., Grama, A., Gupta, A., and Karypis, G., Introduction to Parallel Computing, The Benjamin/Cummings Publishing Company, Inc., Redwood City, 1994.
Decker, K.M., Dvorak, J.J., Rehmann, R.M., Ruhl, R., Satisfying application user requirements: A next-generation tool environment for parallel systems, in: Hertzberger B., Serazzi, G. (eds.) Proc. of High-Performance Computing and Networking, May 3–5, 1995, Milan, Springer-Verlag, 1995, pp.206–228.
Dongarra, J.J., and Petitet, A., ScaLAPACK tutorial, Proc. Int. Workshop, PARA '95, August, 21–24, Lyngby, 1995.
Getov, V., Brandes, T., Chapman, B., Hey, T. and Pritchard, D., A comparison of HPF-like systems: early prototypes, University of Southampton Report HPCC94-009, 1994.
Dongarra, J.J., Du Cros, J., Hammarling, S., Waśniewski, J., and Zemła, A., LAPACK90: A proposal for FORTRAN90 interface for LAPACK, Proc. Int. Workshop, PARA'95, August, 21–24, Lyngby, 1995.
Mościński, J., Kitowski, J., Rycerz, Z.A., Jacobs, P.W.M., A vectorized algorithm on the ETA 10-P for molecular dynamics simulation of large number of particles confined in a long cylinder, Comput. Phys. Commun., 54 (1989) 47–54.
Boryczko, K., Bubak, M., Kitowski, J., Mościński, J., Słota, R.: Lattice gas automata and molecular dynamics on a network of computers, in: W. Gentzsch and U. Harms (eds.), Proc. of High Performance Computing and Networking, April 18–20, 1994, München, Lecture Notes in Computer Science, vol. 796, Springer-Verlag, 1994, pp.177–180.
Kitowski, J., Distributed and parallel computing of short-range molecular dynamics, Proc. Int. Workshop, PARA'95, August, 21–24, Lyngby, 1995.
Beazley, D.M., Lomdahl, P.S. and Gronbech-Jensen, N., Parallel Algorithms for short-range molecular dynamics, Los Alamos Report, 1995.
Exemplar Programming Guide, Convex Press, 1994, Richardson.
Brezany, P. private information, 1995.
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 1996 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Boryczko, K., Kitowski, J., Mościński, J. (1996). Efficiency comparison of data-parallel programming and message-passing paradigm for molecular dynamics simulation. In: Liddell, H., Colbrook, A., Hertzberger, B., Sloot, P. (eds) High-Performance Computing and Networking. HPCN-Europe 1996. Lecture Notes in Computer Science, vol 1067. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-61142-8_552
Download citation
DOI: https://doi.org/10.1007/3-540-61142-8_552
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-61142-4
Online ISBN: 978-3-540-49955-8
eBook Packages: Springer Book Archive