Parallel strategies for four-atom quantum dynamics calculations

A parallel method for computing the action of the Hamiltonian operator for a four-atom system is presented. In this algorithm, the data is distributed to the processors according to the value of one of the radial coordinates. While most of the work is local to each processor, for each iteration of t he Hamiltonian, a series of parallel matrix multiplications, must be perfor med. The topology of the data communication is a simple ring. Timings an pr esented and the scaling of the algorithm is discussed. Finally, more sophis ticated extensions of this simple algorithm are outlined. (C) 2000 Publishe d by Elsevier Science B.V. All rights reserved.