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
59 SecondsAverage Run Time
1 Hour, 27 Minutes, 47 SecondsTest Dependencies
Fortran + BLAS (Basic Linear Algebra Sub-Routine) + LAPACK (Linear Algebra Pack) + OpenMPI + FFTW + C/C++ Compiler ToolchainSupported Platforms
Data current as of Sat, 10 Apr 2021 08:25:21 GMT.
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 410 public results since 9 January 2021 with the latest data as of 7 April 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, 30 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 0.7%.
Does It Scale Well With Increasing Cores?
Yes, based on the automated analysis of the collected public benchmark data, this test / test settings does 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
Compare
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1 System - 1 Benchmark Result |
AMD Ryzen Threadripper 3970X 32-Core - ASRock TRX40 Creator - AMD Starship Debian 10 - 4.19.0-16-amd64 - GNOME Shell 3.30.2 |
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4 Systems - 179 Benchmark Results |
AMD Ryzen 5 5600X 6-Core - ASRock X570 Taichi - AMD Starship Ubuntu 20.04 - 5.10.13-051013-lowlatency - GNOME Shell 3.36.4 |
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3 Systems - 179 Benchmark Results |
AMD Ryzen 5 5600X 6-Core - ASRock X570 Taichi - AMD Starship Ubuntu 20.04 - 5.10.13-051013-lowlatency - GNOME Shell 3.36.4 |
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3 Systems - 179 Benchmark Results |
AMD Ryzen 5 5600X 6-Core - ASRock X570 Taichi - AMD Starship Ubuntu 20.04 - 5.10.13-051013-lowlatency - GNOME Shell 3.36.4 |
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1 System - 179 Benchmark Results |
Intel Core i5-11600K - ASUS ROG MAXIMUS XIII HERO - Intel Device 43ef Ubuntu 20.04 - 5.10.13-051013-lowlatency - GNOME Shell 3.36.4 |
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4 Systems - 56 Benchmark Results |
Intel Core i7-5775C - MSI Z97-G45 GAMING - Intel Broadwell-U DMI Ubuntu 18.10 - 5.0.0-999-generic - GNOME Shell 3.30.2 |
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4 Systems - 290 Benchmark Results |
2 x AMD EPYC 7742 64-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.04 - 5.8.0-44-generic - X Server 1.20.8 |
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3 Systems - 108 Benchmark Results |
Intel Core i7-10700T - Logic Supply RXM-181 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - GNOME Shell 3.38.2 |
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2 Systems - 30 Benchmark Results |
Ampere Altra ARMv8 Neoverse-N1 - WIWYNN Mt.Jade - Ampere Computing LLC Device e100 Ubuntu 20.10 - 5.11.0-051100-generic-64k - GCC 10.2.0 |
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2 Systems - 65 Benchmark Results |
Intel Core i9-7960X - MSI X299 SLI PLUS - Intel Sky Lake-E DMI3 Registers Ubuntu 20.04 - 5.4.0-60-generic - GNOME Shell 3.36.4 |
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3 Systems - 84 Benchmark Results |
Intel Core i9-9900KS - ASUS PRIME Z390-A - Intel Cannon Lake PCH Ubuntu 20.04 - 5.9.0-050900rc8daily20201005-generic - GNOME Shell 3.36.2 |
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1 System - 143 Benchmark Results |
2 x Intel Xeon Platinum 8280 - GIGABYTE MD61-SC2-00 v01000100 - Intel Sky Lake-E DMI3 Registers Ubuntu 19.04 - 5.0.0-38-generic - GNOME Shell 3.32.2 |