Match comparison for Benzene Energy [step 20] (match type 25753)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565216215793e+01 | 3.740000000000000e-12 | -3.744565216215785e+01 | 6.539452717371439e-14 | -3.744565216215790e+01 | 1.278976924368180e-13 | PASS |
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Detailed information
Reference: -37.445652162157934, precision: 0.00000000000374| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.744565216215794e+01 | -7.105427357601002e-15 | -1.899846887059092e-03 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565216215788e+01 | 5.684341886080801e-14 | 1.519877509647273e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.744565216215777e+01 | 1.634248292248230e-13 | 4.369647840235910e-02 | PASS |
| spack_foss-2022a_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2022a_serial_min | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| spack_foss-2022a_mpi | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| spack_foss-2023a_mpi | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| spack_foss-2023a_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2023a_serial_min | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2023b_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.744565216215787e+01 | 6.394884621840902e-14 | 1.709862198353182e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.744565216215787e+01 | 6.394884621840902e-14 | 1.709862198353182e-02 | PASS |
| spack_intel-2023a_serial | -3.744565216215797e+01 | -3.552713678800501e-14 | -9.499234435295458e-03 | PASS |
| spack_intel-2022a_serial_omp | -3.744565216215793e+01 | 7.105427357601002e-15 | 1.899846887059092e-03 | PASS |
| spack_intel-2023a_impi | -3.744565216215797e+01 | -3.552713678800501e-14 | -9.499234435295458e-03 | PASS |
| spack_intel-2023a_serial_omp | -3.744565216215793e+01 | 7.105427357601002e-15 | 1.899846887059092e-03 | PASS |
| spack_intel-2022a_impi_omp | -3.744565216215803e+01 | -9.237055564881302e-14 | -2.469800953176819e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |