A scalable parallel algorithm especially for large-scale three dimensional simulations with seriously non-uniform molecular distributions is presented. In particular, based on cell-block data structures, this algorithm uses space filling curve to convert three-dimensional domain decomposition for load distribution across processors into one-dimensional load balancing problems for which run-time measurement-based multilevel averaging weights method can be applied successfully. Parallel numerical experiments for simulations of three-dimensional metal-eject physical models with 210 million particles using 500 processors of one massively parallel processors have shown that this algorithm has achieved speedup about 420.

Computation of three dimensional fluid interface instability with random perturbation is performed on a 8 CPU personal parallel computer system.The parallel computation platform is a message passage interface (MPI).A second order TVD scheme with Ghost method is applied with a fully parallel algorithm to the 3D Euler equations.Level Set function is used to track the motion of a fluid interface in an Eulerian framework.Buffer zone and data communication are discussed.The number of computation meshes is about 1 million.Bubble evolution with random perturbation in Rayleigh Taylor instability is obtained by numerical simulation.

It uses a Level Set function to track the motion of a fluid interface in an Eulerian framework.In addition,the use of Ghost cells (actually Ghost nodes in the difference framework) can keep the density profile from smearing out,while still preserving the scheme robust 2-nd easy to program with and accuracy TVD scheme in spacial and two step Runge Kutta methods.In contrast, the references[6][7] allow the density profile smearing out.This method significantly improves the resolution at the contact discontinuity.

On the basis of the message passing parallel programming platform MPI,and with the high performance characteristics of contemporary microprocessors,it describes the parallelization and optimization for a two dimensional molecular dynamics code(MDP) to simulate the high speed collision physical model problems.The serial optimization has shown to be of double performance improvements,and the parallel efficiencies being above 90% under the cluster consisted of 8 Pentium-Ⅱ microprocessors.

The UTA method to calculate radiative opacity is outlined.Some results of Ge and Al are calculated and comparisons with experiments are given.