Modeling high-temperature superconductors and metallic alloys on the Intel iPSC/860

Oak Ridge National Laboratory has embarked on several computational grand Challenges, which require the close cooperation of physicists, mathematicians, and computer scientists. One of these projects is the determination of the material properties of alloys form first principles and, in particular, the electronic structure of high-temperature superconductors. The physical basis for high Tc superconductivity is not well understood. The design of materials with higher critical temperatures and the ability to carry higher current densities can be greatly facilitated by the modeling and detailed study of the electronic structure of existing superconductors. This paper describes the progress to data on this project. We include a description of a self-consistent KKR-CPA method, parallelization of the model, and the incorporation of a dynamic load balancing scheme into the algorithm. We also describe the development and performance of a consolidated KKR-CPA code capable of running on CRAYs, workstations, and several parallel computers without source code modification