MaxG[] = nA nA nA -> N[] = nA nA nA LevNo MaxG RMaxG MaxN N[0] N[1] N[2] RLevSStep 0 5147691 10295381 25165824 384 256 256 0 1 643665 1287329 3145728 192 128 128 267 2 80442 160883 393216 96 64 64 267 3 10074 20147 49152 48 32 32 333 4 1264 2527 6144 24 16 16 862 procs proc[0] proc[1] PsiMax PsiDoub PsiUp PsiDown NRStep TotalIons 1 1 1 $Psi $Psi+0 0+0 0+0 1 $nr Types mpqc calc compute gradient nuc rep one electron gradient overlap gradient two electron gradient contribution start thread stop thread setup vector density evals extrap fock accum aogmat start thread stop thread init pmax local data setup sum CPU 16.37 0.56 0.17 0.00 0.01 0.00 0.16 0.15 0.15 0.00 0.01 0.39 0.00 0.01 0.01 0.34 0.00 0.34 0.34 0.00 0.00 0.00 0.00 0.00 Wall 17.48 0.78 0.17 0.00 0.01 0.00 0.16 0.15 0.15 0.00 0.01 0.61 0.00 0.01 0.01 0.48 0.00 0.47 0.47 0.00 0.00 0.00 0.00 0.00