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 based on those opting to upload their test results to OpenBenchmarking.org and users enabling the opt-in anonymous statistics reporting while running benchmarks from an Internet-connected platform.
*** Test profile page view reporting began March 2021.
Data current as of 15 June 2021.
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 457 public results since 9 January 2021 with the latest data as of 14 June 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, 32 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 - 372 Benchmark Results |
2 x AMD EPYC 7763 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 21.04 - 5.13.0-051300rc4-generic - X Server 1.20.11 |
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12 Systems - 214 Benchmark Results |
Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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2 Systems - 118 Benchmark Results |
Intel Core i9-11900K - ASUS ROG MAXIMUS XIII HERO - Intel Tiger Lake-H Fedora 34 - 5.12.9-300.fc34.x86_64 - GNOME Shell 40.1 |
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1 System - 369 Benchmark Results |
2 x AMD EPYC 7713 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 21.04 - 5.13.0-051300rc4-generic - X Server 1.20.11 |
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4 Systems - 214 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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3 Systems - 214 Benchmark Results |
Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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1 System - 485 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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1 System - 206 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 21.04 - 5.13.0-051300rc4-generic - GNOME Shell 3.38.4 |
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1 System - 38 Benchmark Results |
2 x Intel Xeon E5-2630 v4 - Supermicro X10DRT-H v1.02 - Intel Xeon E7 v4 Debian 10 - 4.19.0-16-amd64 - GCC 8.3.0 |
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1 System - 16 Benchmark Results |
2 x Intel Xeon E5-2630 v4 - Supermicro X10DRT-H v1.02 - Intel Xeon E7 v4 Debian 10 - 4.19.0-16-amd64 - GCC 8.3.0 |
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3 Systems - 94 Benchmark Results |
Intel Core i9-11900K - ASUS ROG MAXIMUS XIII HERO - Intel Tiger Lake-H Fedora 34 - 5.11.20-300.fc34.x86_64 - GNOME Shell 40.1 |
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5 Systems - 259 Benchmark Results |
2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 20.04 - 5.11.0-051100-generic - GNOME Shell 3.36.4 |