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 431 public results since 22 December 2021 with the latest data as of 21 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 (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.
Based on public OpenBenchmarking.org results, the selected test / test configuration has an average standard deviation of 0.1%.
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 - 34 Benchmark Results |
AMD Ryzen 7 2700X Eight-Core - Gigabyte B450 AORUS M - AMD 17h Pop 22.04 - 6.8.0-76060800daily20240311-generic - GNOME Shell 42.5 |
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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 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 |