Molecular dynamics simulations of short-range force systems on 1024-node hypercubes
Two parallel algorithms for classical molecular dynamics are presented. The first assigns each processor to a subset of particles; the second assigns each to a fixed region of 3d space. The algorithms are implemented on 1024-node hypercubes for problems characterized by short-range forces, diffusion (so that each particle's neighbors change in time), and problem size ranging from 250 to 10000 particles. Timings for the algorithms on the 1024-node NCUBE/ten and the newer NCUBE 2 hypercubes are given. The latter is found to be competitive with a CRAY-XMP, running an optimized serial algorithm. For smaller problems the NCUBE 2 and CRAY-XMP are roughly the same; for larger ones the NCUBE 2 (with 1024 nodes) is up to twice as fast. Parallel efficiencies of the algorithms and communication parameters for the two hypercubes are also examined. 8 refs., 2 figs., 1 tab.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (USA)
- Sponsoring Organization:
- DOE/DP
- DOE Contract Number:
- AC04-76DP00789
- OSTI ID:
- 7186203
- Report Number(s):
- SAND-89-2918C; CONF-9004159--3; ON: DE90009833
- Country of Publication:
- United States
- Language:
- English
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