Full Configuration Interation (Full-CI) is an important quantum chemistry method, mainly used to investigate the accuracy of approximate methods. A few years ago, we developed a Full-CI algorithm for CRAY parallel-vector computers (Y-MP, C90) [1] and later we ported an intermediate in-core version (i.e. keeping all large vectors in memory) of the algorithm to the CRAY T3D distributed memory computer [2]. In spite of the large memory available on the T3D, it was necessary to develop an out-of-core version in order to study systems with Full-CI spaces of several hundred million determinants.
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