Parallel computing and quantum simulations/011

摘要

Our goal was to investigate the suitability of parallel supercomputer architectures for Quantum Monte Carlo (QMC). Because QMC allows one to study the properties of ions and electrons in a solid, it has important applications to condensed matter physics, chemistry, and materials science. research plan was to Our specific 1. Adapt quantum simulation codes which were highly optimized for vector supercomputers to run on the Intel Hypercube and Thinking Machines CM--5. 2. Identify architectural bottlenecks in communication, floating point computation, and node memory. Determine scalability with number of nodes. 3. Identify algorithmic changes required to take advantage of current and prospective architectures. We have made significant progress towards these goals.