QMCPACK is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code making use of MPI for this benchmark of the H20 example code. QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids. QMCPACK is supported by the U.S. Department of Energy.
Below is an overview of the generalized performance for components where there is sufficient statistically significant data based upon user-uploaded results. It is important to keep in mind particularly in the Linux/open-source space there can be vastly different OS configurations, with this overview intended to offer just general guidance as to the performance expectations.
Component
Details
Percentile Rank
# Compatible Public Results
Total Execution Time - Seconds (Average)
Zen 5 [128 Cores / 256 Threads]
100th
3
64
Zen 5 [64 Cores / 128 Threads]
98th
5
73 +/- 1
Zen 5 [256 Cores / 512 Threads]
97th
7
75 +/- 1
Zen 5 [192 Cores / 384 Threads]
95th
3
76 +/- 1
Zen 5 [128 Cores / 256 Threads]
94th
9
79
Zen 5 [96 Cores / 192 Threads]
92nd
5
81 +/- 1
Zen 5 [96 Cores / 192 Threads]
91st
3
83 +/- 1
Granite Rapids [128 Cores / 256 Threads]
86th
9
88 +/- 3
Zen 4 [64 Cores / 128 Threads]
86th
4
88
Granite Rapids [256 Cores / 512 Threads]
84th
14
89 +/- 3
Zen 5 [384 Cores / 768 Threads]
82nd
3
93
Zen 5 [192 Cores / 384 Threads]
77th
4
95
Zen 4 [64 Cores / 128 Threads]
77th
5
95 +/- 2
Emerald Rapids [128 Cores / 256 Threads]
76th
11
96 +/- 2
Zen 4 [192 Cores / 384 Threads]
75th
11
97 +/- 7
Zen 4 [192 Cores / 384 Threads]
71st
7
99 +/- 6
Sapphire Rapids [120 Cores / 240 Threads]
71st
11
100 +/- 2
Zen 4 [96 Cores / 192 Threads]
70th
5
101 +/- 8
Sapphire Rapids [96 Cores / 192 Threads]
64th
3
104 +/- 1
Zen 4 [96 Cores / 192 Threads]
63rd
10
105 +/- 4
Zen 4 [256 Cores / 512 Threads]
63rd
8
105 +/- 6
Emerald Rapids [64 Cores / 128 Threads]
60th
10
106 +/- 2
Zen 4 [96 Cores / 192 Threads]
60th
5
106 +/- 6
Zen 4 [128 Cores / 256 Threads]
56th
4
107 +/- 4
Sapphire Rapids [60 Cores / 120 Threads]
52nd
5
110 +/- 1
Sapphire Rapids [56 Cores / 112 Threads]
44th
5
117 +/- 1
Sapphire Rapids [112 Cores / 224 Threads]
43rd
9
119 +/- 16
Zen 4 [64 Cores / 128 Threads]
43rd
8
120 +/- 11
Sapphire Rapids [48 Cores / 96 Threads]
43rd
4
122 +/- 1
Zen 5 [16 Cores / 32 Threads]
42nd
4
123 +/- 7
Zen 4 [16 Cores / 32 Threads]
42nd
7
123 +/- 4
Zen 2 [32 Cores / 64 Threads]
38th
4
132
Zen 4 [16 Cores / 32 Threads]
35th
5
135 +/- 1
Zen 2 [64 Cores / 128 Threads]
30th
4
157 +/- 4
Raptor Lake [24 Cores / 32 Threads]
28th
6
205 +/- 3
Cascade Lake [18 Cores / 36 Threads]
26th
4
221 +/- 2
Zen 2 [12 Cores / 24 Threads]
24th
5
231 +/- 1
Zen [32 Cores / 64 Threads]
23rd
3
232 +/- 1
Zen 3 [8 Cores / 16 Threads]
23rd
3
271 +/- 2
Raptor Lake [14 Cores / 20 Threads]
22nd
4
285 +/- 1
Zen 4 [8 Cores / 16 Threads]
21st
4
298 +/- 2
Zen 2 [8 Cores / 16 Threads]
19th
6
317
Cascade Lake [16 Cores / 32 Threads]
17th
4
340 +/- 6
Zen 3 [8 Cores / 16 Threads]
16th
4
386 +/- 2
Alder Lake [10 Cores / 16 Threads]
15th
4
445
Zen 2 [8 Cores / 8 Threads]
13th
4
464 +/- 1
Zen 3 [8 Cores / 16 Threads]
13th
6
465 +/- 1
Zen 2 [6 Cores / 6 Threads]
10th
5
507 +/- 32
[4 Cores / 8 Threads]
9th
3
600 +/- 86
Tiger Lake [4 Cores / 8 Threads]
8th
6
672 +/- 16
Alder Lake [14 Cores / 20 Threads]
6th
4
698
Tiger Lake [4 Cores / 8 Threads]
5th
4
734 +/- 23
Ice Lake [4 Cores / 8 Threads]
3rd
4
1090 +/- 9
