Match comparison for x (O) (t=200 au) (match type 17038)

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.029474818285000e-15 1.000000000000000e-04 2.144755117911290e-17 8.040115422759388e-17 1.475587714181961e-16 1.522923691928582e-16 PASS

Checks for this match

  • GPU builders have different values.
  • Intel® builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: 0.000000000000005029474818285, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-full] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss_autotools: [foss2022a-serial] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss_opt_autotools: [foss2023a-serial] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss_autotools: [foss2023b-serial] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
intel_autotools: [intel2023a-serial] -4.733597774662083e-18 -5.034208416059662e-15 -5.034208416059661e-11 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss_autotools: [foss2023a-serial] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss_omp_autotools: [foss2023a-serial] -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
intel_omp_autotools: [intel2023a-serial] -4.733597774662083e-18 -5.034208416059662e-15 -5.034208416059661e-11 PASS
intel_omp_autotools: [intel2022a-serial] -4.733597774662083e-18 -5.034208416059662e-15 -5.034208416059661e-11 PASS
foss_ppc_autotools: [foss2022a-serial] 4.685196397100306e-18 -5.024789621887900e-15 -5.024789621887900e-11 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 2.998511406110543e-16 -4.729623677673946e-15 -4.729623677673945e-11 PASS