Match comparison for Benzene Multipoles [step 20] (match type 24560)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.086271425086069e-02 | 1.000000000000000e-06 | 9.086273319687919e-02 | 6.999237104790741e-15 | 9.086273319687645e-02 | 1.268429805634241e-14 | PASS |
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Detailed information
Reference: 0.09086271425086069, precision: 0.000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2023a_serial_opt | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2022a_serial | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2022a_serial_min | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2022a_ppc | 9.086273319686725e-02 | 1.894600655527601e-08 | 1.894600655527601e-02 | PASS |
| spack_foss-2023a_serial | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2023b_serial | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2022a_mpi_min | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| spack_foss-2023a_mpi_min | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| spack_foss-2023a_serial_omp | 9.086273319688913e-02 | 1.894602844054738e-08 | 1.894602844054738e-02 | PASS |
| spack_foss-2023a_mpi_opt | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| spack_foss-2022a_mpi | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| spack_foss-2023a_mpi | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| spack_foss-2023a_serial_debug | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2023a_mpi_debug | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 9.086273319686376e-02 | 1.894600307195127e-08 | 1.894600307195127e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 9.086273319686659e-02 | 1.894600590301998e-08 | 1.894600590301998e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 9.086273319686659e-02 | 1.894600590301998e-08 | 1.894600590301998e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 9.086273319688913e-02 | 1.894602844054738e-08 | 1.894602844054738e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 9.086273319686725e-02 | 1.894600655527601e-08 | 1.894600655527601e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| spack_foss-2023a_mpi_omp | 9.086273319688527e-02 | 1.894602458252237e-08 | 1.894602458252237e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 9.086273319688527e-02 | 1.894602458252237e-08 | 1.894602458252237e-02 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| cmake_foss_2022a_full_serial | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| cmake_foss_2022a_min_serial | 9.086273319688172e-02 | 1.894602102980869e-08 | 1.894602102980869e-02 | PASS |
| cmake_foss_2022a_min_mpi | 9.086273319687302e-02 | 1.894601232843574e-08 | 1.894601232843574e-02 | PASS |
| cmake_foss_2022a_full_mpi | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| spack_intel-2022a_impi_omp | 9.086273319686507e-02 | 1.894600437646332e-08 | 1.894600437646332e-02 | PASS |
| spack_intel-2023a_serial | 9.086273319686376e-02 | 1.894600307195127e-08 | 1.894600307195127e-02 | PASS |
| spack_intel-2022a_serial_omp | 9.086273319686659e-02 | 1.894600590301998e-08 | 1.894600590301998e-02 | PASS |
| spack_intel-2023a_serial_omp | 9.086273319686659e-02 | 1.894600590301998e-08 | 1.894600590301998e-02 | PASS |
| spack_intel-2023a_impi | 9.086273319688142e-02 | 1.894602072449736e-08 | 1.894602072449736e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 9.086273319688104e-02 | 1.894602034979709e-08 | 1.894602034979709e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.086273319687480e-02 | 1.894601410479257e-08 | 1.894601410479257e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 9.086273319688451e-02 | 1.894602381924404e-08 | 1.894602381924404e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 9.086273319687756e-02 | 1.894601686647235e-08 | 1.894601686647235e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 9.086273319687756e-02 | 1.894601686647235e-08 | 1.894601686647235e-02 | PASS |
| spack_foss-2022a_cuda_serial | 9.086273319688104e-02 | 1.894602034979709e-08 | 1.894602034979709e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 9.086273319688142e-02 | 1.894602072449736e-08 | 1.894602072449736e-02 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 9.086273319686507e-02 | 1.894600437646332e-08 | 1.894600437646332e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 9.086273319687302e-02 | 1.894601232843574e-08 | 1.894601232843574e-02 | PASS |