Match comparison for Hartree energy (match type 26101)

Commits > Commit 18848dd43b1805cec78813204483223eec09e06c > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.244778686000000e+01 1.190000000000000e-06 4.244778736812501e+01 4.218962956834067e-07 4.244778740000000e+01 5.399999984945225e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 42.44778686, precision: 0.00000119
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.244778774000000e+01 8.800000017572529e-07 7.394957997960108e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.244778693000000e+01 6.999999868639861e-08 5.882352830789799e-02 PASS
foss_min_autotools: [foss2023a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_min_autotools: [foss2022a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_autotools: [foss2022a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_autotools: [foss2023a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 4.244778701000000e+01 1.499999982002009e-07 1.260504186556310e-01 PASS
foss_debug_autotools: [foss2023a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_min_autotools: [foss2023b-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_autotools: [foss2023b-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_opt_autotools: [foss2023a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
intel_autotools: [intel2023a-serial] 4.244778789000000e+01 1.029999999957454e-06 8.655462184516418e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 4.244778701000000e+01 1.499999982002009e-07 1.260504186556310e-01 PASS
foss_omp_autotools: [foss2023a-serial] 4.244778699000000e+01 1.299999965453935e-07 1.092436945759609e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
intel_omp_autotools: [intel2023a-serial] 4.244778785000000e+01 9.899999966478390e-07 8.319327702923016e-01 PASS
intel_omp_autotools: [intel2022a-serial] 4.244778690000000e+01 3.999999620418748e-08 3.361344218839284e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.244778701000000e+01 1.499999982002009e-07 1.260504186556310e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.244778701000000e+01 1.499999982002009e-07 1.260504186556310e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 4.244778707000000e+01 2.099999960591958e-07 1.764705849236940e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.244778698000000e+01 1.199999957179898e-07 1.008403325361259e-01 PASS