Match comparison for Fy (H) (t=200 au) (match type 17054)

Commits > Commit b27eded3d993de0343d6f1363463df82eb2e5c60 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.933449656873000e-17 1.000000000000000e-04 3.598949331927646e-17 2.935781885859337e-17 5.764216640916894e-17 5.371352637963524e-17 PASS

Checks for this match

    Zen 4 builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: 0.00000000000000005933449656873, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.928640029533699e-18 -5.540585653919630e-17 -5.540585653919630e-13 PASS
foss-ppc: [foss2022a-serial] 1.113556927888042e-16 5.202119622007418e-17 5.202119622007417e-13 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss-mpi-full: [foss2023a-mpi] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.928640029533699e-18 -5.540585653919630e-17 -5.540585653919630e-13 PASS
foss-opt-full: [foss2023a-serial] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS