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.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark qmcpack.
OpenBenchmarking.org metrics for this test profile configuration based on 202 public results since 29 October 2023 with the latest data as of 18 April 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.
Based on OpenBenchmarking.org data, the selected test / test configuration (QMCPACK 3.17.1 - Input: Li2_STO_ae) has an average run-time of 22 minutes. By default this test profile is set to run at least 3 times but may increase if the standard deviation exceeds pre-defined defaults or other calculations deem additional runs necessary for greater statistical accuracy of the result.
Based on public OpenBenchmarking.org results, the selected test / test configuration has an average standard deviation of 0.1%.
This benchmark has been successfully tested on the below mentioned architectures. The CPU architectures listed is where successful OpenBenchmarking.org result uploads occurred, namely for helping to determine if a given test is compatible with various alternative CPU architectures.
1 System - 10 Benchmark Results |
rv64imafdcvsu - T-HEAD Light Lichee Pi 4A configuration for 16GB DDR board - 16GB Debian 12 - 5.10.113-lpi4a - Xfce |
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1 System - 1 Benchmark Result |
2 x AMD EPYC 7742 64-Core - Supermicro H12DSI-NT6 v1.02 - AMD Starship Ubuntu 20.04 - 5.4.0-91-generic - GNOME Shell 3.36.9 |
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1 System - 10 Benchmark Results |
8 x Intel Xeon E5-2620 v4 - Xen HVM domU v4.13 - Intel 440FX 82441FX PMC Debian 11 - 5.10.0-28-amd64 - GNOME Shell 3.38.6 |
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1 System - 10 Benchmark Results |
8 x Intel Xeon E5-2620 v4 - Xen HVM domU v4.13 - Intel 440FX 82441FX PMC Debian 11 - 5.10.0-28-amd64 - GNOME Shell 3.38.6 |
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1 System - 10 Benchmark Results |
8 x Intel Xeon E5-2620 v4 - QEMU Standard PC - Intel 82G33 Debian 11 - 5.10.0-27-amd64 - GNOME Shell 3.38.6 |
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1 System - 10 Benchmark Results |
8 x Intel Xeon E5-2620 v4 - QEMU Standard PC - Intel 82G33 Debian 11 - 5.10.0-27-amd64 - GNOME Shell 3.38.6 |
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1 System - 10 Benchmark Results |
2 x Intel Xeon E5-2650 v4 - ASUS Z10PE-D8 WS - Intel Xeon E7 v4 Ubuntu 20.04 - 5.15.0-92-generic - GNOME Shell 3.36.9 |
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1 System - 494 Benchmark Results |
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1 System - 10 Benchmark Results
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Intel Xeon E5-2620 v4 - Microsoft Virtual Machine - 3584MB Debian 11 - 5.10.0-27-amd64 - GNOME Shell 3.38.6
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1 System - 10 Benchmark Results
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Intel Xeon E5-2620 v4 - Microsoft Virtual Machine - 3584MB Debian 11 - 5.10.0-27-amd64 - GNOME Shell 3.38.6
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1 System - 10 Benchmark Results
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AMD Ryzen 7 7800X3D 8-Core - ASUS ROG STRIX B650E-I GAMING WIFI - AMD Device 14d8 Pop 22.04 - 6.6.6-76060606-generic - GNOME Shell 42.5
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1 System - 10 Benchmark Results
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Intel Xeon E5-2699 v4 - ASRock X99E-ITX/ac - Intel Xeon E7 v4 Pop 22.04 - 6.6.6-76060606-generic - GNOME Shell 42.5
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1 System - 10 Benchmark Results
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8 x Intel Xeon E5-2620 v4 - Microsoft Virtual Machine - 6GB Ubuntu 22.04 - 5.15.0-91-generic - GNOME Shell 42.9
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1 System - 6 Benchmark Results
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Intel Core 2 Duo T8100 - Dell 0HN341 - Intel Mobile PM965 Ubuntu 22.04 - 5.15.0-91-generic - Xfce 4.16
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1 System - 10 Benchmark Results
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QEMU Virtual 2.5+ - QEMU Standard PC - Intel 440FX 82441FX PMC Debian 11 - 5.10.0-26-amd64 - GNOME Shell 3.38.6 |
3 Systems - 106 Benchmark Results |
AMD EPYC 9B14 - Google Compute Engine c3d-standard-8 - Intel 440FX 82441FX PMC Ubuntu 22.04 - 6.2.0-1018-gcp - 1.3.238 |
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5 Systems - 43 Benchmark Results |
AMD Ryzen 9 7950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 23.10 - 6.6.0-060600rc5-generic - GNOME Shell 45.0 |
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Featured Graphics Comparison |
AMD Ryzen 9 5900HX - ASUS G513QY v1.0 - AMD Renoir Ubuntu 22.10 - 5.19.0-46-generic - GNOME Shell 43.0 |
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Featured Processor Comparison |
Intel Core i9-14900K - ASUS PRIME Z790-P WIFI - Intel Device 7a27 Ubuntu 23.10 - 6.5.0-9-generic - GNOME Shell 45.0 |
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2 Systems - 202 Benchmark Results |
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2 Systems - 93 Benchmark Results
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AMD EPYC 7F32 8-Core - ASRockRack EPYCD8 - AMD Starship Debian 12 - 6.1.0-11-amd64 - X Server
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3 Systems - 232 Benchmark Results
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ARMv8 Neoverse-N1 - GIGABYTE MP32-AR2-00 v01000100 - Ampere Computing LLC Altra PCI Root Complex A Ubuntu 23.10 - 6.5.0-9-generic - GCC 13.2.0
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2 Systems - 42 Benchmark Results
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AMD Ryzen Threadripper 3990X 64-Core - Gigabyte TRX40 AORUS PRO WIFI - AMD Starship Ubuntu 23.10 - 6.5.0-10-generic - GNOME Shell 45.0
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14 Systems - 159 Benchmark Results
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Intel Xeon Max 9468 - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 23.10 - 6.6.0-rc5-phx-patched - GNOME Shell 45.0
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2 Systems - 93 Benchmark Results
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Intel Xeon Silver 4216 - TYAN S7100AG2NR - Intel Sky Lake-E DMI3 Registers Debian 12 - 6.1.0-11-amd64 - X Server
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2 Systems - 246 Benchmark Results
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Intel Core i5-12600K - ASUS PRIME Z690-P WIFI D4 - Intel Device 7aa7 Ubuntu 22.04 - 5.19.0-051900rc6daily20220716-generic - GNOME Shell 42.1
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2 Systems - 84 Benchmark Results
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AMD Ryzen 7 PRO 6850U - LENOVO 21CM0001US - AMD 17h-19h PCIe Root Complex Fedora Linux 39 - 6.5.7-300.fc39.x86_64 - GNOME Shell 45.0
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2 Systems - 520 Benchmark Results
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2 x INTEL XEON PLATINUM 8592+ - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 23.10 - 6.5.0-13-generic - GCC 13.2.0
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10 Systems - 143 Benchmark Results
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2 x AMD EPYC 9684X 96-Core - AMD Titanite_4G - AMD Device 14a4 Ubuntu 23.10 - 6.6.0-rc5-phx-patched - GNOME Shell 45.0
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2 Systems - 42 Benchmark Results
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AMD Ryzen 7 7840U - Framework FRANMDCP07 - AMD Device 14e8 Ubuntu 23.10 - 6.5.0-5-generic - GNOME Shell 45.0 |