UNEDF project some perceived software issues and collaboraion unedf项目的一些问题与协作感知软件.pptVIP

K. Roche Future Technologies Group Computer Science and Mathematics Division Oak Ridge National Laboratory;Time-Dependent Superfluid Local Density Approximation (TD-SLDA) generalization of Kohn-Sham LDA to superfluid systems;;State;Coupled Cluster ab initio technique calculates ground-state properties of closed-shell (or sub-shell) nuclei solves coupled nonlinear sets of equations (largest ~10M unknowns) CCSD ~ O(nu^2 * No^4) (nu:=unoccupied orbitals; No:=occupied) CCSDT ~ O(nu^3 * No^5) ;sum of wall time: 449.967129 sum of cpu time: 561.210000; Tensor Contraction Engine (TCE) Rely on