Match comparison for Hartree energy (match type 26101)

Commits > Commit 69bdc22e524ab1df7701119670aff9b913714e90 > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.244778686000000e+01 1.190000000000000e-06 4.244778717242424e+01 4.104102181848137e-07 4.244778745000000e+01 5.899999990788274e-07 PASS

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Detailed information

Reference: 42.44778686, precision: 0.00000119
Run Value Difference Relative difference Status
intel_mpi_omp_autotools: [intel2022a-mpi] 4.244778799000000e+01 1.130000001126064e-06 9.495798328790450e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 4.244778771000000e+01 8.499999992750418e-07 7.142857136765056e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.244778691000000e+01 4.999999703159119e-08 4.201680422822789e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.244778698000000e+01 1.199999957179898e-07 1.008403325361259e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.244778804000000e+01 1.179999998157655e-06 9.915966371072729e-01 PASS
foss_autotools: [foss2022a-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_ppc_autotools: [foss2022a-serial] 4.244778692000000e+01 5.999999785899490e-08 5.042016626806294e-02 PASS
foss_autotools: [foss2023b-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023a-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.244778695000000e+01 9.000000034120603e-08 7.563025238756810e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 4.244778702000000e+01 1.599999990276046e-07 1.344537806954661e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 4.244778702000000e+01 1.599999990276046e-07 1.344537806954661e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 4.244778779000000e+01 9.299999987888441e-07 7.815126040242387e-01 PASS
intel_autotools: [intel2023a-serial] 4.244778693000000e+01 6.999999868639861e-08 5.882352830789799e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 4.244778779000000e+01 9.299999987888441e-07 7.815126040242387e-01 PASS
foss-serial-min: [foss2022a-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023b-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 4.244778779000000e+01 9.299999987888441e-07 7.815126040242387e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023a-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-opt-full: [foss2023a-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] 4.244778701000000e+01 1.499999982002009e-07 1.260504186556310e-01 PASS
intel_omp_autotools: [intel2023a-serial] 4.244778699000000e+01 1.299999965453935e-07 1.092436945759609e-01 PASS
foss-serial-debug: [foss2023a-serial] 4.244778686000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 4.244778779000000e+01 9.299999987888441e-07 7.815126040242387e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.244778779000000e+01 9.299999987888441e-07 7.815126040242387e-01 PASS
foss-omp-full: [foss2023a-serial] 4.244778695000000e+01 9.000000034120603e-08 7.563025238756810e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.244778779000000e+01 9.299999987888441e-07 7.815126040242387e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.244778696000000e+01 1.000000011686097e-07 8.403361442740315e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.244778702000000e+01 1.599999990276046e-07 1.344537806954661e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.244778702000000e+01 1.599999990276046e-07 1.344537806954661e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 4.244778693000000e+01 6.999999868639861e-08 5.882352830789799e-02 PASS