Match comparison for Total energy (match type 30589)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.245067404600000e+02 3.070000000000000e-05 -3.245067410629999e+02 4.370976236224077e-07 -3.245067399700000e+02 1.249999996844053e-06 PASS
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Detailed information

Reference: -324.50674046, precision: 0.0000307
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_min_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_min_autotools: [foss2022a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_min_autotools: [foss2023b-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_opt_autotools: [foss2023a-serial] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_autotools: [foss2023b-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_autotools: [foss2022a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
intel_autotools: [intel2023a-serial] -3.245067411600000e+02 -6.999999868639861e-07 -2.280130250371290e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.245067387200000e+02 1.740000016070553e-06 5.667752495343821e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_debug_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -2.312703566113411e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.245067409400000e+02 -4.799999828719592e-07 -1.563517859517782e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.245067412200000e+02 -7.599999776175537e-07 -2.475569959666299e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -2.214983618887049e-02 PASS