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, 22 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
20k+ 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 18 November 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 607 public results since 18 June 2023 with the latest data as of 15 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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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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Featured Processor Comparison
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1 System - 1002 Benchmark Results
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1 System - 999 Benchmark Results
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1 System - 60 Benchmark Results
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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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1 System - 1012 Benchmark Results
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22 Systems - 263 Benchmark Results
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2 x INTEL XEON PLATINUM 8592+ - Quanta Cloud QuantaGrid D54Q-2U S6Q-MB-MPS - Intel Device 1bce Ubuntu 24.04 - 6.9.0-060900rc3-generic - GCC 13.2.0 |
Most Popular Test Results
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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 |
Intel Core Ultra 7 155H - MTL Swift SFG14-72T Coral_MTH - Intel Device 7e7f Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
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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 9 7900X 12-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.10.0-061000rc2-generic - GNOME Shell 46.0 |
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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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5 Systems - 149 Benchmark Results |
AMD EPYC 8534PN 32-Core - AMD Cinnabar - AMD Device 14a4 Ubuntu 23.10 - 6.6.9-060609-generic - GNOME Shell 45.0 |
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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 - 1012 Benchmark Results |
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3 Systems - 232 Benchmark Results
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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 - 234 Benchmark Results
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2 Systems - 115 Benchmark Results
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Intel Core i7-1185G7 - Dell 0DXP1F - Intel Tiger Lake-LP Ubuntu 22.04 - 5.19.0-40-generic - GNOME Shell 42.2 |