Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark qe.
OpenBenchmarking.org metrics for this test profile configuration based on 430 public results since 22 December 2021 with the latest data as of 11 March 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 (Quantum ESPRESSO 7.0 - Input: AUSURF112) has an average run-time of 36 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.
No, based on the automated analysis of the collected public benchmark data, this test / test settings does not generally scale well with increasing CPU core counts. Data based on publicly available results for this test / test settings, separated by vendor, result divided by the reference CPU clock speed, grouped by matching physical CPU core count, and normalized against the smallest core count tested from each vendor for each CPU having a sufficient number of test samples and statistically significant data.
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 - 1 Benchmark Result |
Intel Core i5-1145G7 - HP 880D - Intel Tiger Lake-LP Fedora 39 - 6.7.7-200.fc39.x86_64 - KDE Plasma 5.27.10 |
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1 System - 1 Benchmark Result |
Intel Core i5-1145G7 - HP 880D - Intel Tiger Lake-LP Fedora 39 - 6.7.7-200.fc39.x86_64 - KDE Plasma 5.27.10 |
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1 System - 1 Benchmark Result |
Intel Core i7-13700K - ASUS PRIME Z790-P WIFI - Intel Device 7a27 Ubuntu 22.04 - 6.5.0-21-generic - GNOME Shell 42.9 |
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1 System - 1 Benchmark Result |
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 - 494 Benchmark Results |
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1 System - 486 Benchmark Results
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Intel Core i3-12100 - MSI MAG B660M MORTAR DDR4 - Intel Alder Lake-S PCH Arch Linux - 6.1.66-1-lts - GCC 13.2.1 20230801 + Clang 16.0.6
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1 System - 486 Benchmark Results
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1 System - 1 Benchmark Result
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Intel Core i9-13900H - 16GB - 0GB Virtual Disk + 4GB Virtual Disk + 1100GB Virtual Disk Ubuntu 22.04 - 5.15.133.1-microsoft-standard-WSL2 - 1.3.238
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1 System - 566 Benchmark Results
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ARMv8 Cortex-A72 - BCM2835 Raspberry Pi 4 Model B Rev 1.5 - Broadcom BCM2711 Arch Linux ARM - 6.1.58-2-rpi-ARCH - GCC 12.1.0 + Clang 16.0.6
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1 System - 621 Benchmark Results
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AMD Ryzen 7 PRO 4750G - LENOVO 318E - AMD Renoir Arch Linux - 6.1.59-1-lts - GCC 13.2.1 20230801 + Clang 16.0.6
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1 System - 650 Benchmark Results
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1 System - 591 Benchmark Results
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Intel Core i7-4790 - ASUS H97M-PLUS - Intel 4th Gen Core DRAM Arch Linux - 6.1.57-1-lts - GCC 13.2.1 20230801 + Clang 16.0.6
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1 System - 598 Benchmark Results
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Intel Core i7-4770 - Mouse H87M-S01 v1.0 - Intel 4th Gen Core DRAM Arch Linux - 6.1.55-1-lts - GCC 13.2.1 20230801 + Clang 16.0.6
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1 System - 1 Benchmark Result
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Intel Core i9-10850K - ASUS ROG MAXIMUS XII APEX - Intel Comet Lake PCH Ubuntu 23.10 - 6.5.0-7-generic - GNOME Shell 45.0
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1 System - 543 Benchmark Results
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AMD Ryzen Threadripper PRO 5995WX 64-Cores - ASRock WRX80 Creator - AMD Starship Ubuntu 22.04 - 6.2.0-33-generic - GNOME Shell 42.9 |
2 Systems - 705 Benchmark Results |
2 x AMD EPYC 7713 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 22.04 - 5.15.0-47-generic - GNOME Shell 42.4 |
3 Systems - 51 Benchmark Results |
Intel Core i5-12400 - ASRock B660M-HDV - Intel Device 7aa7 Ubuntu 22.04 - 5.15.0-18-generic - GNOME Shell 41.3 |
2 Systems - 55 Benchmark Results |
2 x AMD EPYC 7742 64-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 21.10 - 5.16.0-rc8-mglru-pts - GNOME Shell 40.5 |
5 Systems - 57 Benchmark Results |
Intel Core i9-7980XE - ASUS PRIME X299-A - Intel Sky Lake-E DMI3 Registers Ubuntu 20.10 - 5.8.0-63-generic - GNOME Shell 3.38.1 |
2 Systems - 22 Benchmark Results |
2 x Intel Xeon Platinum 8280 - GIGABYTE MD61-SC2-00 v01000100 - Intel Sky Lake-E DMI3 Registers Ubuntu 21.04 - 5.11.0-40-generic - GNOME Shell 3.38.4 |
3 Systems - 493 Benchmark Results |
Intel Core i5-12400 - ASUS PRIME Z690-P WIFI D4 - Intel Device 7aa7 Ubuntu 21.10 - 5.15.7-051507-generic - GNOME Shell 40.5 |
3 Systems - 106 Benchmark Results |
AMD Ryzen Threadripper 2990WX 32-Core - ASUS ROG ZENITH EXTREME - AMD 17h Ubuntu 20.10 - 5.8.0-50-generic - GNOME Shell 3.38.1 |
5 Systems - 32 Benchmark Results |
2 x AMD EPYC 7742 64-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 21.10 - 5.16.0-rc8-mglru-pts - GNOME Shell 40.5 |
2 Systems - 10 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 22.04 - 5.15.0-18-generic - GNOME Shell 41.3 |
2 Systems - 66 Benchmark Results |
Intel Core i9-12900K - ASUS ROG STRIX Z690-E GAMING WIFI - Intel Device 7aa7 Ubuntu 22.04 - 5.17.0-051700rc3daily20220211-generic - GNOME Shell 41.3 |
3 Systems - 166 Benchmark Results |
Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 21.10 - 5.15.0-051500daily20211114-generic - GNOME Shell 40.5 |
3 Systems - 15 Benchmark Results |
AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 21.10 - 5.13.0-23-generic - GNOME Shell 40.5 |
128 Systems - 1156 Benchmark Results |
2 x Intel Xeon E5-2680 v2 - Supermicro X9DR3-F v0123456789 - Intel Xeon E7 v2 Arch Linux - 6.1.6-arch1-1 - GCC 12.2.0 |
10 Systems - 223 Benchmark Results |
AMD Ryzen Threadripper PRO 5965WX 24-Cores - ASUS Pro WS WRX80E-SAGE SE WIFI - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2 |
8 Systems - 77 Benchmark Results |
Intel Xeon Platinum 8280 - GIGABYTE MD61-SC2-00 v01000100 - Intel Sky Lake-E DMI3 Registers Ubuntu 22.04 - 5.15.0-18-generic - GNOME Shell 41.3 |