Match comparison for Hartree energy (match type 26101)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.244778686000000e+01 1.190000000000000e-06 4.244778720266665e+01 5.034211828075012e-07 4.244778685500000e+01 1.084999997402747e-06 PASS
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Detailed information

Reference: 42.44778686, precision: 0.00000119
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_min_autotools: [foss2022a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_min_autotools: [foss2023a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_min_autotools: [foss2023b-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_autotools: [foss2023a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_autotools: [foss2022a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_opt_autotools: [foss2023a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
intel_autotools: [intel2023a-serial] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.244778696000000e+01 1.000000011686097e-07 8.403361442740315e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.244778696000000e+01 1.000000011686097e-07 8.403361442740315e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 4.244778696000000e+01 1.000000011686097e-07 8.403361442740315e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 4.244778696000000e+01 1.000000011686097e-07 8.403361442740315e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
foss_autotools: [foss2023b-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_omp_autotools: [foss2023a-serial] 4.244778693000000e+01 6.999999868639861e-08 5.882352830789799e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
intel_omp_autotools: [intel2022a-serial] 4.244778784000000e+01 9.799999958204353e-07 8.235294082524666e-01 PASS
intel_omp_autotools: [intel2023a-serial] 4.244778693000000e+01 6.999999868639861e-08 5.882352830789799e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 4.244778577000000e+01 -1.089999997816449e-06 -9.159663847197048e-01 PASS
foss_debug_autotools: [foss2023a-serial] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 4.244778780000000e+01 9.399999996162478e-07 7.899159660640738e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.244778695000000e+01 9.000000034120603e-08 7.563025238756810e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 4.244778794000000e+01 1.079999996989045e-06 9.075630226798698e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 4.244778692000000e+01 5.999999785899490e-08 5.042016626806294e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 4.244778697000000e+01 1.100000019960135e-07 9.243697646723820e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.244778699000000e+01 1.299999965453935e-07 1.092436945759609e-01 PASS