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.dk

Test Created

19 September 2020

Last Updated

19 September 2020

Test Maintainer

Michael Larabel

Test Type

System

Average Install Time

1 Minute, 1 Second

Average Run Time

24 Minutes, 14 Seconds

Supported Platforms


Public Result UploadsReported Installs*Test Completions*OpenBenchmarking.orgEventsGPAW Popularity Statisticspts/gpaw2020.092020.102020.112020.122021.0150100150200250
* 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.
Data current as of Fri, 22 Jan 2021 09:50:21 GMT.

Revision History

pts/gpaw-1.0.0   [View Source]   Sat, 19 Sep 2020 09:25:55 GMT
Initial commit of GPAW>

Suites Using This Test

Scientific Computing

MPI Benchmarks

HPC - High Performance Computing

Quantum Mechanics


Performance Metrics

Analyze Test Configuration:

GPAW 20.1

Input: Carbon Nanotube

OpenBenchmarking.org metrics for this test profile configuration based on 183 public results since 19 September 2020 with the latest data as of 21 January 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.

Component
Percentile Rank
# Matching Public Results
Seconds (Average)
84th
4
115 +/- 2
82nd
4
146 +/- 3
76th
4
204 +/- 1
Mid-Tier
75th
> 205
70th
3
245 +/- 1
Median
50th
343
49th
3
363 +/- 38
34th
3
471 +/- 2
28th
3
486 +/- 1
27th
3
512 +/- 3
Low-Tier
25th
> 515
21st
3
544 +/- 1
20th
4
575 +/- 1
17th
3
599 +/- 3
16th
3
603 +/- 1
14th
3
650 +/- 3
12th
3
716 +/- 1
10th
3
737 +/- 7
10th
3
794 +/- 70
5th
3
868 +/- 3
OpenBenchmarking.orgDistribution Of Public Results - Input: Carbon Nanotube183 Results Range From 51 To 2921 Seconds511091672252833413994575155736316897478058639219791037109511531211126913271385144315011559161716751733179118491907196520232081213921972255231323712429248725452603266127192777283528932951714212835

Based on OpenBenchmarking.org data, the selected test / test configuration (GPAW 20.1 - Input: Carbon Nanotube) has an average run-time of 20 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.

OpenBenchmarking.orgMinutesTime Required To Complete BenchmarkInput: Carbon NanotubeRun-Time1326395265Min: 3 / Avg: 19.8 / Max: 67

Based on public OpenBenchmarking.org results, the selected test / test configuration has an average standard deviation of 0.1%.

OpenBenchmarking.orgPercent, Fewer Is BetterAverage Deviation Between RunsInput: Carbon NanotubeDeviation246810Min: 0 / Avg: 0.15 / Max: 3

Recent Test Results

OpenBenchmarking.org Results Compare

1 System - 94 Benchmark Results

Intel Core i7-1165G7 - Dell 08607K - Intel Device a0ef

Ubuntu 20.04 - 5.6.0-1042-oem - GNOME Shell 3.36.4

1 System - 92 Benchmark Results

AMD Ryzen 9 5900X 12-Core - ASRock X570 Taichi - AMD Starship

Ubuntu 20.04 - 5.4.0-53-generic - GNOME Shell 3.36.4

1 System - 295 Benchmark Results

AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship

Pop 20.04 - 5.4.0-7642-generic - GNOME Shell 3.36.4

1 System - 290 Benchmark Results

AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship

Ubuntu 20.04 - 5.9.0-050900-generic - GNOME Shell 3.36.4

2 Systems - 403 Benchmark Results

Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH

Ubuntu 20.10 - 5.8.0-22-generic - GNOME Shell 3.38.0

3 Systems - 202 Benchmark Results

Intel Core i7-7700K - MSI Z270-A PRO - Intel Xeon E3-1200 v6

Ubuntu 20.04 - 5.4.0-28-generic - GNOME Shell 3.36.1

Most Popular Test Results

OpenBenchmarking.org Results Compare

2 Systems - 403 Benchmark Results

Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH

Ubuntu 20.04 - 5.4.0-48-generic - GNOME Shell 3.36.4

3 Systems - 406 Benchmark Results

AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship

Ubuntu 20.10 - 5.8.0-20-generic - GNOME Shell 3.38.0

3 Systems - 131 Benchmark Results

Intel Core i5-10600K - ASUS PRIME Z490M-PLUS - Intel Comet Lake PCH

Ubuntu 20.04 - 5.4.0-45-generic - GNOME Shell 3.36.4

3 Systems - 202 Benchmark Results

Intel Core i7-7700K - MSI Z270-A PRO - Intel Xeon E3-1200 v6

Ubuntu 20.04 - 5.4.0-28-generic - GNOME Shell 3.36.1

3 Systems - 100 Benchmark Results

AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship

Ubuntu 20.04 - 5.4.0-47-generic - GNOME Shell 3.36.4

3 Systems - 197 Benchmark Results

Intel Core i7-4790K - Gigabyte Z97-HD3P - Intel 4th Gen Core DRAM

Ubuntu 19.10 - 5.8.14-050814-generic - GNOME Shell 3.34.1

3 Systems - 138 Benchmark Results

Intel Xeon E3-1245 v5 - MSI C236A WORKSTATION - Intel Xeon E3-1200 v5

Ubuntu 20.04 - 5.4.0-37-generic - GNOME Shell 3.36.2

3 Systems - 119 Benchmark Results

Intel Core i9-7980XE - ASUS PRIME X299-A - Intel Sky Lake-E DMI3 Registers

Ubuntu 20.04 - 5.4.0-40-generic - GNOME Shell 3.36.1

3 Systems - 147 Benchmark Results

AMD Ryzen 7 3800XT 8-Core - ASRock X570 Pro4 - AMD Starship

Ubuntu 20.04 - 5.4.0-42-generic - GNOME Shell 3.36.1

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