QMCPACK
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.
QMCPACK 3.17.1
Input: simple-H2O
OpenBenchmarking.org metrics for this test profile configuration based on 179 public results since 29 October 2023 with the latest data as of 29 November 2024.
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 [16 Cores / 32 Threads]
100th
4
17 +/- 1
Zen 4 [16 Cores / 32 Threads]
94th
7
18
Zen 4 [16 Cores / 32 Threads]
92nd
5
18
Zen 3 [8 Cores / 16 Threads]
82nd
3
23
Zen 4 [8 Cores / 16 Threads]
79th
4
25 +/- 3
Zen 2 [12 Cores / 24 Threads]
75th
5
26
Zen 2 [8 Cores / 16 Threads]
72nd
6
27
Zen 2 [32 Cores / 64 Threads]
69th
4
27
[4 Cores / 8 Threads]
68th
3
27 +/- 2
Sapphire Rapids [120 Cores / 240 Threads]
63rd
5
29
Zen 4 [8 Cores / 16 Threads]
59th
6
30 +/- 4
Zen 4 [64 Cores / 128 Threads]
59th
6
30
Zen 3 [24 Cores / 48 Threads]
55th
4
31
Zen 2 [6 Cores / 6 Threads]
51st
5
32 +/- 2
Tiger Lake [4 Cores / 8 Threads]
51st
6
32
Zen 4 [192 Cores / 384 Threads]
49th
5
32
Raptor Lake [24 Cores / 32 Threads]
47th
6
32
Raptor Lake [14 Cores / 20 Threads]
41st
4
32
Zen 3 [8 Cores / 16 Threads]
39th
4
33
Tiger Lake [4 Cores / 8 Threads]
33rd
4
35 +/- 1
Sapphire Rapids [112 Cores / 224 Threads]
31st
4
36
Zen 2 [8 Cores / 8 Threads]
28th
4
37
Zen 3 [8 Cores / 16 Threads]
26th
6
39
Cascade Lake [18 Cores / 36 Threads]
22nd
4
43
Zen 2 [64 Cores / 128 Threads]
20th
4
44 +/- 1
Alder Lake [10 Cores / 16 Threads]
19th
4
44
Ice Lake [4 Cores / 8 Threads]
17th
4
45
Zen [32 Cores / 64 Threads]
14th
3
46
Cascade Lake [16 Cores / 32 Threads]
8th
4
68
Alder Lake [14 Cores / 20 Threads]
5th
4
72
