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

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.933449656873000e-17 1.000000000000000e-04 3.760040713156020e-17 2.647860971362221e-17 5.764216640916894e-17 5.371352637963524e-17 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: 0.00000000000000005933449656873, 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-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.928640029533699e-18 -5.540585653919630e-17 -5.540585653919630e-13 PASS
foss_autotools: [foss2023a-serial] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss_autotools: [foss2022a-serial] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss_autotools: [foss2023b-serial] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
intel_omp_autotools: [intel2022a-serial] 5.481873625596164e-17 -4.515760312768363e-18 -4.515760312768363e-14 PASS
intel_omp_autotools: [intel2023a-serial] 5.481873625596164e-17 -4.515760312768363e-18 -4.515760312768363e-14 PASS
foss-opt-full: [foss2023a-serial] 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_ppc_autotools: [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
intel_autotools: [intel2023a-serial] 5.481873625596164e-17 -4.515760312768363e-18 -4.515760312768363e-14 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.928640029533699e-18 -5.540585653919630e-17 -5.540585653919630e-13 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS