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

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.029474818285000e-15 1.000000000000000e-04 5.938467892891347e-17 1.202717833858816e-16 1.475587714181961e-16 1.522923691928582e-16 PASS

Checks for this match

  • OpenMP builders have different values.
  • 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
spack_foss-2022a_serial_opt -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
spack_foss-2022a_serial -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
spack_foss-2022a_ppc 4.685196397100306e-18 -5.024789621887900e-15 -5.024789621887900e-11 PASS
spack_intel-2022a_serial_omp -4.733597774662083e-18 -5.034208416059662e-15 -5.034208416059661e-11 PASS
spack_foss-2022a_cuda_serial 2.998511406110543e-16 -4.729623677673946e-15 -4.729623677673945e-11 PASS