-
Notifications
You must be signed in to change notification settings - Fork 1
/
timer.dat
66 lines (60 loc) · 4.87 KB
/
timer.dat
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
Host: ajay-MS-7C37
Timers On : Sat Sep 4 18:36:25 2021
Timers Off: Sat Sep 4 18:37:08 2021
Wall Time: 42.93 seconds
Time (seconds)
Module User System Wall Calls
V: Grid : 1.350u 0.017s 0.073w 1 calls
Total PK formation time : 9.733u 0.217s 0.710w 1 calls
Libint2ERI::Libint2ERI : 0.200u 0.017s 0.137w 13 calls
HF: Form core H : 0.250u 0.017s 0.014w 1 calls
HF: Form S/X : 0.117u 0.000s 0.007w 1 calls
HF: Guess : 0.667u 0.017s 0.038w 1 calls
SAD Guess : 0.633u 0.017s 0.036w 1 calls
HF: Form G : 20.183u 0.133s 1.036w 13 calls
RV: Form V : 16.567u 0.050s 0.851w 13 calls
Properties : 4.905p 17342 calls
Functional : 1.463p 17342 calls
V_xc : 3.681p 17342 calls
JK: D : 0.017u 0.000s 0.000w 13 calls
JK: USO2AO : 0.017u 0.000s 0.000w 13 calls
JK: JK : 3.550u 0.083s 0.183w 13 calls
PK computes JK : 3.550u 0.083s 0.183w 13 calls
JK: AO2USO : 0.000u 0.000s 0.000w 13 calls
HF: Form F : 0.017u 0.000s 0.002w 13 calls
HF: Form D : 0.033u 0.000s 0.000w 13 calls
HF: DIIS : 0.350u 0.017s 0.020w 12 calls
DIISManager::add_entry : 0.067u 0.000s 0.003w 12 calls
DIISManager::extrapolate : 0.067u 0.000s 0.006w 12 calls
bMatrix setup : 0.033u 0.000s 0.003w 12 calls
bMatrix pseudoinverse : 0.017u 0.000s 0.000w 12 calls
New vector : 0.017u 0.000s 0.002w 12 calls
HF: Form C : 0.767u 0.017s 0.039w 12 calls
--------------------------------------------------------------------------------------
V: Grid : 1.350u 0.017s 0.073w 1 calls
Total PK formation time : 9.733u 0.217s 0.710w 1 calls
| Libint2ERI::Libint2ERI : 0.200u 0.017s 0.137w 13 calls
HF: Form core H : 0.250u 0.017s 0.014w 1 calls
HF: Form S/X : 0.117u 0.000s 0.007w 1 calls
HF: Guess : 0.667u 0.017s 0.038w 1 calls
| SAD Guess : 0.633u 0.017s 0.036w 1 calls
HF: Form G : 20.183u 0.133s 1.036w 13 calls
| RV: Form V : 16.567u 0.050s 0.851w 13 calls
| | Properties : 4.905p 17342 calls
| | Functional : 1.463p 17342 calls
| | V_xc : 3.681p 17342 calls
| JK: D : 0.017u 0.000s 0.000w 13 calls
| JK: USO2AO : 0.017u 0.000s 0.000w 13 calls
| JK: JK : 3.550u 0.083s 0.183w 13 calls
| | PK computes JK : 3.550u 0.083s 0.183w 13 calls
| JK: AO2USO : 0.000u 0.000s 0.000w 13 calls
HF: Form F : 0.017u 0.000s 0.002w 13 calls
HF: Form D : 0.033u 0.000s 0.000w 13 calls
HF: DIIS : 0.350u 0.017s 0.020w 12 calls
| DIISManager::add_entry : 0.067u 0.000s 0.003w 12 calls
| DIISManager::extrapolate : 0.067u 0.000s 0.006w 12 calls
| | bMatrix setup : 0.033u 0.000s 0.003w 12 calls
| | bMatrix pseudoinverse : 0.017u 0.000s 0.000w 12 calls
| | New vector : 0.017u 0.000s 0.002w 12 calls
HF: Form C : 0.767u 0.017s 0.039w 12 calls
**************************************************************************************