Match comparison for Benzene Multipoles [step 20] (match type 20286)
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497332627963e-02 | 9.000000000000000e-07 | -2.094508926169463e-02 | 7.067617572228008e-15 | -2.094508926169760e-02 | 1.272940086671781e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.020944973326279627, precision: 0.0000009| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2022a_serial_min | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2022a_ppc | -2.094508926170585e-02 | -1.159354262210421e-07 | -1.288171402456024e-01 | PASS |
| spack_foss-2022a_serial | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2023a_serial | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| spack_foss-2023b_serial | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.094508926168487e-02 | -1.159354052412964e-07 | -1.288171169347738e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| spack_foss-2022a_mpi | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2023a_mpi | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.094508926170275e-02 | -1.159354231228260e-07 | -1.288171368031400e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.094508926171033e-02 | -1.159354307000982e-07 | -1.288171452223313e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.094508926168487e-02 | -1.159354052412964e-07 | -1.288171169347738e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.094508926170762e-02 | -1.159354279939295e-07 | -1.288171422154773e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.094508926170762e-02 | -1.159354279939295e-07 | -1.288171422154773e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.094508926169259e-02 | -1.159354129677548e-07 | -1.288171255197275e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.094508926170585e-02 | -1.159354262210421e-07 | -1.288171402456024e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.094508926168916e-02 | -1.159354095330023e-07 | -1.288171217033359e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.094508926168916e-02 | -1.159354095330023e-07 | -1.288171217033359e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094508926169887e-02 | -1.159354192405149e-07 | -1.288171324894610e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.094508926169537e-02 | -1.159354157467818e-07 | -1.288171286075353e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.094508926169537e-02 | -1.159354157467818e-07 | -1.288171286075353e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.094508926169230e-02 | -1.159354126728518e-07 | -1.288171251920575e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.094508926170275e-02 | -1.159354231228260e-07 | -1.288171368031400e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.094508926168867e-02 | -1.159354090438103e-07 | -1.288171211597892e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.094508926170661e-02 | -1.159354269843205e-07 | -1.288171410936894e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094508926170661e-02 | -1.159354269843205e-07 | -1.288171410936894e-01 | PASS |
| spack_intel-2023a_serial | -2.094508926171033e-02 | -1.159354307000982e-07 | -1.288171452223313e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.094508926170762e-02 | -1.159354279939295e-07 | -1.288171422154773e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.094508926170762e-02 | -1.159354279939295e-07 | -1.288171422154773e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.094508926169328e-02 | -1.159354136512358e-07 | -1.288171262791509e-01 | PASS |
| spack_intel-2023a_impi | -2.094508926169259e-02 | -1.159354129677548e-07 | -1.288171255197275e-01 | PASS |