Journal of Computational Chemistry · 1993 · 93 citations · 22 references
ComputingComputer ScienceHigh-performance ComputingComputational ChemistryParallel ComputingScientific ComputingCluster ArchitectureData ParallelismDistributed ComputingParallel ArchitecturesParallel Computing SystemsParallel Performance AnalysisHigh-performance Computing PerformanceHigh-performance Computing SystemsParallel Computing ArchitecturesParallel Performance OptimizationParallelizationResidence Time
Abstract A parallel direct SCF and gradient program for workstation clusters has been implemented on the basis of the ab initio program package TURBOMOLE. Applications on large molecular systems monitor an appreciable speedup in residence time. © John Wiley & Sons, Inc.
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