Match comparison for Benzene Energy [step 20] (match type 25753)
Commits >
Commit f8acf19c290dd45fdc983dc97ea0d33866cdf665 >
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 | -3.744565216215784e+01 | 6.113743682506026e-14 | -3.744565216215784e+01 | 1.278976924368180e-13 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -37.445652162157934, precision: 0.00000000000374| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_min_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| foss-2022a_ppc | -3.744565216215786e+01 | 7.815970093361102e-14 | 2.089831575765001e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565216215788e+01 | 5.684341886080801e-14 | 1.519877509647273e-02 | PASS |
| foss-2022a_opt | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| eb_foss-2022b_libxc6 | -3.744565216215781e+01 | 1.278976924368180e-13 | 3.419724396706365e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| eb_foss-2022a | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| intel-2022a | -3.744565216215793e+01 | 7.105427357601002e-15 | 1.899846887059092e-03 | PASS |
| foss-2022a_omp | -3.744565216215783e+01 | 1.065814103640150e-13 | 2.849770330588637e-02 | PASS |
| eb_foss-2022a_debug | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744565216215786e+01 | 7.105427357601002e-14 | 1.899846887059092e-02 | PASS |
| eb_foss-2022a_mpi | -3.744565216215781e+01 | 1.207922650792170e-13 | 3.229739708000456e-02 | PASS |
| eb_fosscuda-2022a | -3.744565216215771e+01 | 2.202682480856311e-13 | 5.889525349883184e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.744565216215781e+01 | 1.207922650792170e-13 | 3.229739708000456e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| foss-2022a_mpi_omp | -3.744565216215787e+01 | 6.394884621840902e-14 | 1.709862198353182e-02 | PASS |
| intel-2022b | -3.744565216215793e+01 | 7.105427357601002e-15 | 1.899846887059092e-03 | 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 |
| intel-2022a_omp | -3.744565216215797e+01 | -3.552713678800501e-14 | -9.499234435295458e-03 | PASS |
| intel-2022a_impi | -3.744565216215797e+01 | -3.552713678800501e-14 | -9.499234435295458e-03 | PASS |
| intel-2022a_omp_impi | -3.744565216215791e+01 | 2.842170943040401e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2022a_mpi | -3.744565216215783e+01 | 9.947598300641403e-14 | 2.659785641882728e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.744565216215780e+01 | 1.350031197944190e-13 | 3.609709085412274e-02 | PASS |
| intel-2022b_impi | -3.744565216215797e+01 | -3.552713678800501e-14 | -9.499234435295458e-03 | PASS |
| spack_foss-2022a_serial_omp | -3.744565216215786e+01 | 7.815970093361102e-14 | 2.089831575765001e-02 | PASS |
| spack_foss-2022a_mpi_omp | -3.744565216215785e+01 | 8.526512829121202e-14 | 2.279816264470910e-02 | PASS |