Match comparison for Kinetic energy (match type 12858)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.517203609999999e+00 4.760000000000000e-07 9.517203591153846e+00 5.976408222421473e-08 9.517203605000001e+00 6.500000004905360e-08 PASS

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Detailed information

Reference: 9.51720361, precision: 0.000000476
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 9.517203670000001e+00 6.000000141170858e-08 1.260504231338416e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS