Quantum ESPRESSO
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.
Project Site
quantum-espresso.orgTest Created
9 January 2021Last Updated
12 January 2021Test Maintainer
Michael LarabelTest Type
ProcessorAverage Install Time
55 SecondsAverage Run Time
1 Hour, 27 Minutes, 47 SecondsTest Dependencies
Fortran + BLAS (Basic Linear Algebra Sub-Routine) + LAPACK (Linear Algebra Pack) + OpenMPI + Fast Fourier Transform 3 + C/C++ Compiler ToolchainAccolades
Recently Created Test ProfileSupported Platforms
Suites Using This Test
Performance Metrics
Analyze Test Configuration:Quantum ESPRESSO 6.7
Input: AUSURF112
OpenBenchmarking.org metrics for this test profile configuration based on 228 public results since 9 January 2021 with the latest data as of 25 January 2021.
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 6.7 - Input: AUSURF112) has an average run-time of 1 hour, 42 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 0.8%.
Does It Scale Well With Increasing Cores?
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.
Recent Test Results
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Featured Monitor Comparison |
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6 Systems - 78 Benchmark Results |
AMD Ryzen Threadripper 2990WX 32-Core - ASUS ROG ZENITH EXTREME - AMD 17h Ubuntu 20.10 - 5.8.0-34-generic - GNOME Shell 3.38.1 |
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3 Systems - 376 Benchmark Results |
2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.10 - 5.11.0-rc4-max-boost-inv-patch - GNOME Shell 3.38.1 |
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3 Systems - 99 Benchmark Results |
AMD EPYC 7601 32-Core - TYAN B8026T70AE24HR - AMD 17h Ubuntu 20.04 - 5.4.0-58-generic - GNOME Shell 3.36.4 |
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3 Systems - 376 Benchmark Results |
2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.10 - 5.11.0-051100rc4daily20210122-generic - GNOME Shell 3.38.1 |
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3 Systems - 29 Benchmark Results |
AMD Ryzen 9 5900X 12-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.8.0-38-generic - GNOME Shell 3.38.1 |
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4 Systems - 62 Benchmark Results |
AMD Ryzen 5 3600XT 6-Core - MSI X470 GAMING M7 AC - AMD Starship Ubuntu 20.10 - 5.8.0-28-generic - GNOME Shell 3.38.1 |
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1 System - 466 Benchmark Results |
2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.10 - 5.10.9-051009-generic - GNOME Shell 3.38.1 |
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3 Systems - 44 Benchmark Results |
Intel Core i3-10100 - Gigabyte B460M DS3H - Intel Device 9b63 Ubuntu 20.04 - 5.9.0-050900rc7daily20201002-generic - GNOME Shell 3.36.3 |
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3 Systems - 74 Benchmark Results |
2 x AMD EPYC 7601 32-Core - Dell 02MJ3T - AMD 17h Ubuntu 19.10 - 5.9.0-050900rc6daily20200922-generic - GNOME Shell 3.34.1 |
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3 Systems - 38 Benchmark Results |
AMD Ryzen 7 1700 Eight-Core - MSI B350 TOMAHAWK - AMD 17h Ubuntu 20.10 - 5.11.0-rc1-phx - GNOME Shell 3.38.1 |
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2 Systems - 129 Benchmark Results |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.11.0-051100rc2daily20210108-generic - GNOME Shell 3.38.1 |
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