source: tests/Fragmentations/Analyzing/heptan/pre/pcp.speed@ 88bb6b

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     12.37   12.34   5.80    0.00    0.25    0.02    5.52    5.42    5.42    0.00    0.10    6.55    0.00    0.02    0.01    6.42    0.00    6.42    6.42    0.00    0.00    0.00    0.00    0.00    
Wall    12.57   12.55   5.83    0.00    0.25    0.02    5.56    5.44    5.44    0.00    0.12    6.71    0.00    0.02    0.01    6.57    0.00    6.56    6.56    0.00    0.00    0.00    0.00    0.00