Match comparison for Benzene Energy [step 0] (match type 20283)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578880864112e+01 | 3.740000000000000e-13 | -3.744578880864108e+01 | 1.030491125571449e-13 | -3.744578880864112e+01 | 1.492139745096210e-13 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -37.44578880864112, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2023a_serial | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2023a_serial_min | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2023b_serial | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2022a_serial | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_foss-2022a_ppc | -3.744578880864115e+01 | -2.842170943040401e-14 | -7.599387548236365e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.744578880864120e+01 | -8.526512829121202e-14 | -2.279816264470910e-01 | PASS |
| spack_foss-2022a_mpi | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_foss-2023a_mpi | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.744578880864117e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_intel-2023a_serial | -3.744578880864127e+01 | -1.492139745096210e-13 | -3.989678462824092e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.744578880864124e+01 | -1.207922650792170e-13 | -3.229739708000455e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.744578880864127e+01 | -1.492139745096210e-13 | -3.989678462824092e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.744578880864127e+01 | -1.492139745096210e-13 | -3.989678462824092e-01 | PASS |
| spack_intel-2023a_impi | -3.744578880864124e+01 | -1.207922650792170e-13 | -3.229739708000455e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.744578880864097e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578880864108e+01 | 4.263256414560601e-14 | 1.139908132235455e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.744578880864102e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |