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

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.029474818285000e-15 1.000000000000000e-04 2.325753548084487e-15 4.206544170372405e-15 7.343826605716830e-15 7.348560203491491e-15 PASS

Checks for this match

  • 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-2022a_ppc 4.685196397100306e-18 -5.024789621887900e-15 -5.024789621887900e-11 PASS
cmake_foss_2022a_full_serial -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
cmake_foss_2022a_full_mpi -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
eb_foss-2022a -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
eb_fosscuda-2022a 6.782415470824212e-15 1.752940652539213e-15 1.752940652539212e-11 PASS
eb_foss-2022b_libxc6 -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss-2022a_opt -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
foss-2022a_omp 4.386706938992400e-15 -6.427678792925996e-16 -6.427678792925996e-12 PASS
intel-2022a -4.733597774662083e-18 -5.034208416059662e-15 -5.034208416059661e-11 PASS
intel-2022b 1.469238680920832e-14 9.662911990923322e-15 9.662911990923322e-11 PASS
spack_foss-2022a_serial -1.439672294462581e-18 -5.030914490579462e-15 -5.030914490579462e-11 PASS
intel-2022a_omp -4.733597774662083e-18 -5.034208416059662e-15 -5.034208416059661e-11 PASS
spack_foss-2022a_serial_omp 4.386706938992400e-15 -6.427678792925996e-16 -6.427678792925996e-12 PASS