Match comparison for Dipole Moment z (match type 11820)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 16-scfinlcao_std.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.050180000000000e-01 4.030000000000000e-05 8.050170000000001e-01 1.110223024625157e-16 8.050170000000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.805018, precision: 0.0000403
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
cmake_foss_2022a_full_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_ppc 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_serial_opt 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
cmake_foss_2022a_min_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
cmake_foss_2022a_min_mpi 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
cmake_foss_2022a_full_mpi 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_mpi 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_mpi_min 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_min_autotools: [foss2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_serial_min 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_mpi_min 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_mpi 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_serial_min 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_mpi_opt 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_serial_debug 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023b_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_serial_omp 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_mpi_debug 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_autotools: [foss2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_intel-2022a_serial_omp 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_autotools: [foss2023b-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2023a_mpi_omp 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_intel-2023a_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_intel_autotools: [intel2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_intel-2023a_impi 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_intel-2023a_serial_omp 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_intel-2022a_impi_omp 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_cuda_mpi_omp 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
spack_foss-2022a_cuda_serial 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 8.050170000000000e-01 -1.000000000028756e-06 -2.481389578235126e-02 PASS