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 425 public results since 22 December 2021 with the latest data as of 2 December 2023.
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 35 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 - 566 Benchmark Results |
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 |
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
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1 System - 1 Benchmark Result
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2 x Intel Xeon Platinum 8358 - Supermicro X12DPi-N6 v1.01 - Intel Device 0998 Ubuntu 22.04 - 5.19.0-46-generic - GNOME Shell 42.5
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1 System - 1 Benchmark Result
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2 x Intel Xeon Platinum 8383C - Supermicro X12DAi-N6 v1.01 - Intel Device 0998 Ubuntu 22.04 - 5.19.0-46-generic - GNOME Shell 42.5
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1 System - 1 Benchmark Result
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2 x Intel Xeon Platinum 8358 - Supermicro X12DPi-N6 v1.01 - Intel Device 0998 Ubuntu 22.04 - 5.19.0-46-generic - GNOME Shell 42.5 |