Match comparison for Dipole y (match type 22770)

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
0.000000000000000e+00 1.000000000000000e-12 -1.496975410714286e-14 1.307381006775689e-14 -1.423775000000000e-14 3.356745000000000e-14 PASS
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Detailed information

Reference: 0.0, precision: 0.000000000001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023a_serial_min -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2022a_ppc -3.278990000000000e-14 -3.278990000000000e-14 -3.278990000000000e-02 PASS
spack_foss-2022a_serial -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023a_serial -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023a_serial_opt -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023b_serial -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023a_mpi_min -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
spack_foss-2022a_mpi_min -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
spack_foss-2023a_serial_omp -5.811160000000000e-15 -5.811160000000000e-15 -5.811160000000000e-03 PASS
spack_foss-2022a_mpi -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
spack_foss-2023a_mpi_opt -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
spack_foss-2023a_serial_debug -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023a_mpi -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -1.213710000000000e-14 -1.213710000000000e-14 -1.213710000000000e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -5.811160000000000e-15 -5.811160000000000e-15 -5.811160000000000e-03 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.621250000000000e-15 -1.621250000000000e-15 -1.621250000000000e-03 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.621250000000000e-15 -1.621250000000000e-15 -1.621250000000000e-03 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -2.358550000000000e-14 -2.358550000000000e-14 -2.358550000000000e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.278990000000000e-14 -3.278990000000000e-14 -3.278990000000000e-02 PASS
spack_foss-2022a_cuda_mpi_omp -2.281870000000000e-14 -2.281870000000000e-14 -2.281870000000000e-02 PASS
spack_foss-2023a_mpi_debug -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_foss_min_autotools: [foss2022a-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss_min_autotools: [foss2023a-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
spack_foss-2023a_mpi_omp 1.932970000000000e-14 1.932970000000000e-14 1.932970000000000e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.405690000000000e-14 -1.405690000000000e-14 -1.405690000000000e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.405690000000000e-14 -1.405690000000000e-14 -1.405690000000000e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 1.932970000000000e-14 1.932970000000000e-14 1.932970000000000e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
cmake_foss_2022a_min_serial -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
cmake_foss_2022a_full_serial -2.468450000000000e-14 -2.468450000000000e-14 -2.468450000000000e-02 PASS
cmake_foss_2022a_min_mpi -1.405690000000000e-14 -1.405690000000000e-14 -1.405690000000000e-02 PASS
spack_intel-2022a_impi_omp 9.036590000000000e-15 9.036590000000000e-15 9.036590000000001e-03 PASS
cmake_foss_2022a_full_mpi -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -2.144720000000000e-15 -2.144720000000000e-15 -2.144720000000000e-03 PASS
spack_intel-2023a_serial -1.213710000000000e-14 -1.213710000000000e-14 -1.213710000000000e-02 PASS
spack_intel-2022a_serial_omp -1.621250000000000e-15 -1.621250000000000e-15 -1.621250000000000e-03 PASS
spack_intel-2023a_impi -1.594810000000000e-14 -1.594810000000000e-14 -1.594810000000000e-02 PASS
spack_foss-2022a_cuda_serial -4.780520000000000e-14 -4.780520000000000e-14 -4.780520000000000e-02 PASS
spack_foss-2023a_valgrind -6.345980000000000e-15 -6.345980000000000e-15 -6.345980000000000e-03 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -7.015330000000000e-15 -7.015330000000000e-15 -7.015330000000000e-03 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.317750000000000e-14 -3.317750000000000e-14 -3.317750000000000e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.964660000000000e-15 -4.964660000000000e-15 -4.964660000000000e-03 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.405690000000000e-14 -1.405690000000000e-14 -1.405690000000000e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.601210000000000e-14 -3.601210000000000e-14 -3.601210000000001e-02 PASS