GPAW

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).

Learn more about this test at the upstream project site: https://wiki.fysik.dtu.dk/gpaw/index.html.

This scientific test profile is maintained by Michael Larabel. This OpenBenchmarking.org test profile was created on 19 September 2020. To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark gpaw.

This test has an average install time of 1 minute, 4 seconds and an average run-time of 22 minutes, 32 seconds.

Revision History

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

Suites Using This Test

Scientific Computing

MPI Benchmarks

Quantum Mechanics

Performance Metrics

Analyze Test Configuration:

GPAW 20.1

Input: Carbon Nanotube

OpenBenchmarking.org metrics for this test profile configuration based on 154 public samples since 19 September 2020 with the latest data as of 24 October 2020.

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.

OpenBenchmarking.orgDistribution Of Public Results - Input: Carbon Nanotube154 Results Range From 63 To 2921 Seconds631211792372953534114695275856437017598178759339911049110711651223128113391397145515131571162916871745180318611919197720352093215122092267232523832441249925572615267327312789284729052963612182430

Based on OpenBenchmarking.org data, the selected test / test configuration (GPAW 20.1 - Input: Carbon Nanotube) has an average run-time of 21 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: 20.73 / 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: 0.14 / Max: 3

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