摘要
Westudypreconditioningtechniquesusedinconjunctionwiththeconjugategradientmethodforsolvingmulti-length-scalesymmetricpositivedefinitelinearsystemsoriginatingfromthequantumMonteCarlosimulationofelectroninteractionofcorrelatedmaterials.Existingpreconditioningtechniquesarenotdesignedtobeadaptivetovaryingnumericalpropertiesofthemulti-length-scalesystems.Inthispaper,weproposeahybridincompleteCholesky(HIC)preconditioneranddemonstrateitsadaptivitytothemulti-length-scalesystems.Inaddition,weproposeanextensionofthecompressedsparsecolumnwithrowaccess(CSCR)sparsematrixstorageformattoefficientlyaccommodatethedataaccesspatterntocomputetheHICpreconditioner.Weshowthatformoderatelycorrelatedmaterials,theHICpreconditionerachievestheoptimallinearscalingofthesimulation.Thedevelopmentofalinear-scalingpreconditionerforstronglycorrelatedmaterialsremainsanopentopic.
出版日期
2009年04月14日(中国期刊网平台首次上网日期,不代表论文的发表时间)