GPAW
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark gpaw.
Project Site
wiki.fysik.dtu.dkSource Repository
gitlab.comTest Created
19 September 2020Last Updated
18 June 2023Test Maintainer
Michael LarabelTest Type
SystemAverage Install Time
1 Minute, 25 SecondsAverage Run Time
24 Minutes, 37 SecondsTest Dependencies
OpenMPI + FFTW + CMake + C/C++ Compiler Toolchain + Python Numpy + Python + Python Scipy + BLAS (Basic Linear Algebra Sub-Routine)Accolades
30k+ DownloadsSupported 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 updated weekly as of 20 December 2024.
Suites Using This Test
Performance Metrics
Analyze Test Configuration:GPAW 23.6
Input: Carbon Nanotube
OpenBenchmarking.org metrics for this test profile configuration based on 623 public results since 18 June 2023 with the latest data as of 29 November 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 (GPAW 23.6 - Input: Carbon Nanotube) has an average run-time of 8 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 0.3%.
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.
Notable Instruction Set Usage
Notable instruction set extensions supported by this test, based on an automatic analysis by the Phoronix Test Suite / OpenBenchmarking.org analytics engine.
This test profile binary relies on the shared libraries libm.so.6, libexpat.so.1, libz.so.1, libc.so.6.
Tested CPU Architectures
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.
Recent Test Results
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1 System - 53 Benchmark Results |
Intel Xeon D-2796TE - Kontron COMh-sdID E2 v1.0.0 - Intel Ice Lake IEH Debian 12 - 6.1.0-27-amd64 - X Server |
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3 Systems - 126 Benchmark Results |
AMD EPYC 9965 192-Core - AMD VOLCANO - AMD Device 153a Ubuntu 24.04 - 6.10.0-phx - GCC 13.2.0 |
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33 Systems - 367 Benchmark Results |
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4 Systems - 856 Benchmark Results
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1 System - 461 Benchmark Results
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AMD Ryzen 7 5800X 8-Core - GIGABYTE MC12-LE0-00 v01000100 - AMD Starship Ubuntu 24.04 - 6.11.0-061100-generic - GNOME Shell 46.0
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10 Systems - 145 Benchmark Results
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2 x Intel Xeon 6980P - Intel AvenueCity v0.01 - Intel Ice Lake IEH Ubuntu 24.04 - 6.10.0-phx - GCC 13.2.0
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1 System - 336 Benchmark Results
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AmpereOne - Supermicro ARS-211M-NR R13SPD v1.02 - Ampere Computing LLC Device e208 Ubuntu 24.04 - 6.8.0-39-generic-64k - GCC 13.2.0
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Featured Processor Comparison
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2 Systems - 413 Benchmark Results
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Intel Core i7-1185G7 - Dell XPS 13 9310 0DXP1F - Intel Tiger Lake-LP Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0
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1 System - 1002 Benchmark Results
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1 System - 999 Benchmark Results
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1 System - 57 Benchmark Results
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AMD Ryzen 9 7950X3D 16-Core - ASUS TUF GAMING X670E-PLUS WIFI - AMD Device 14d8 Ubuntu 22.04 - 6.5.0-44-generic - GNOME Shell 42.9
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1 System - 60 Benchmark Results
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AMD Ryzen Threadripper PRO 5975WX 32-Cores - Supermicro M12SWA-TF v1.01 - AMD Starship Ubuntu 22.04 - 6.5.0-41-generic - GNOME Shell 42.9
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1 System - 57 Benchmark Results
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AMD Ryzen 9 3900XT 12-Core - ASUS PRIME X570-P - AMD Starship Ubuntu 22.04 - 6.5.0-41-generic - Xfce 4.16
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2 Systems - 1012 Benchmark Results
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Most Popular Test Results
Compare
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12 Systems - 69 Benchmark Results |
2 x AMD EPYC 9754 128-Core - AMD Titanite_4G - AMD Device 14a4 Ubuntu 23.04 - 6.2.0-23-generic - GNOME Shell 44.0 |
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3 Systems - 413 Benchmark Results |
AMD Ryzen 7 7840HS - Framework Laptop 16 - AMD Device 14e8 Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
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6 Systems - 87 Benchmark Results |
ARMv8 Neoverse-V1 - Amazon EC2 m7g.16xlarge - Amazon Device 0200 Ubuntu 22.04 - 5.19.0-1025-aws - GCC 11.3.0 |
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3 Systems - 153 Benchmark Results |
AMD Ryzen 5 5500U - NB01 NL5xNU - AMD Renoir Tuxedo 22.04 - 6.0.0-1010-oem - KDE Plasma 5.26.5 |
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2 Systems - 244 Benchmark Results |
AMD Ryzen 9 7900X 12-Core - ASRockRack B650D4U-2L2T/BCM - AMD Device 14d8 Ubuntu 22.04 - 6.6.0-060600rc1daily20230913-generic - GNOME Shell 42.9 |
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18 Systems - 442 Benchmark Results |
AMD Ryzen 5 8400F 6-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14e8 Ubuntu 24.04 - 6.10.0-061000rc2-generic - GNOME Shell 46.0 |
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2 Systems - 234 Benchmark Results |
AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2 |
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2 Systems - 234 Benchmark Results |
AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2 |
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3 Systems - 153 Benchmark Results |
AMD Ryzen 5 5500U - NB01 NL5xNU - AMD Renoir Tuxedo 22.04 - 6.0.0-1010-oem - KDE Plasma 5.26.5 |
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2 Systems - 115 Benchmark Results |
Intel Core i7-1185G7 - Dell 0DXP1F - Intel Tiger Lake-LP Ubuntu 22.04 - 5.19.0-40-generic - GNOME Shell 42.2 |
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3 Systems - 232 Benchmark Results |
ARMv8 Neoverse-N1 - GIGABYTE MP32-AR2-00 v01000100 - Ampere Computing LLC Altra PCI Root Complex A Ubuntu 22.04 - 5.15.0-89-generic - 1.3.238 |
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2 Systems - 1012 Benchmark Results |
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2 Systems - 115 Benchmark Results
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2 x Intel Xeon Platinum 8490H - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 22.04 - 5.15.0-47-generic - GNOME Shell 42.4
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5 Systems - 149 Benchmark Results
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AMD EPYC 8534PN 64-Core - AMD Cinnabar - AMD Device 14a4 Ubuntu 23.10 - 6.6.9-060609-generic - GNOME Shell 45.0
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2 Systems - 358 Benchmark Results
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AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 22.04 - 6.2.0-35-generic - GNOME Shell 42.2 |