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

Commits > Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.933449656873000e-17 1.000000000000000e-04 3.949484932695452e-17 3.655081759310864e-17 2.046902171132123e-17 9.088667107748295e-17 PASS

Checks for this match

  • GPU 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-2022a_ppc 1.113556927888042e-16 5.202119622007418e-17 5.202119622007417e-13 PASS
cmake_foss_2022a_full_serial 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
cmake_foss_2022a_full_mpi 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
eb_foss-2022a 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
eb_foss-2022b_libxc6 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
foss-2022a_opt 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
eb_fosscuda-2022a -7.041764936616172e-17 -1.297521459348917e-16 -1.297521459348917e-12 PASS
intel-2022a 5.481873625596164e-17 -4.515760312768363e-18 -4.515760312768363e-14 PASS
foss-2022a_omp 5.879116985144726e-17 -5.433267172827409e-19 -5.433267172827409e-15 PASS
intel-2022b 4.596215674335031e-17 -1.337233982537969e-17 -1.337233982537969e-13 PASS
spack_foss-2022a_serial 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
intel-2022a_omp 5.481873625596164e-17 -4.515760312768363e-18 -4.515760312768363e-14 PASS
spack_foss-2022a_serial_opt 3.411541117093610e-17 -2.521908539779391e-17 -2.521908539779391e-13 PASS
spack_foss-2022a_serial_omp 5.879116985144726e-17 -5.433267172827409e-19 -5.433267172827409e-15 PASS