Match comparison for Benzene Energy [step 0] (match type 20990)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744470e+01 | 1.000000000000000e-04 | -3.744578235744474e+01 | 1.334988598106856e-13 | -3.744578235744478e+01 | 2.486899575160351e-13 | PASS |
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Detailed information
Reference: -37.4457823574447, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.744578235744483e+01 | -1.278976924368180e-13 | -1.278976924368180e-09 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -4.973799150320701e-14 | -4.973799150320701e-10 | PASS |
| spack_foss-2022a_cuda_serial | -3.744578235744463e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_mpi_min | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| spack_foss-2022a_mpi | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578235744473e+01 | -2.842170943040401e-14 | -2.842170943040401e-10 | PASS |
| spack_foss-2023a_mpi_min | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| spack_foss-2023a_mpi | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| spack_foss-2023a_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2023a_serial_min | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2023a_mpi_opt | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| spack_foss-2023a_serial_opt | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2023a_serial_debug | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2023b_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2023a_serial_omp | -3.744578235744480e+01 | -9.947598300641403e-14 | -9.947598300641403e-10 | PASS |
| spack_foss-2023a_mpi_omp | -3.744578235744483e+01 | -1.278976924368180e-13 | -1.278976924368180e-09 | PASS |
| spack_intel-2023a_serial | -3.744578235744453e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_intel-2022a_serial_omp | -3.744578235744492e+01 | -2.202682480856311e-13 | -2.202682480856311e-09 | PASS |
| spack_intel-2023a_impi | -3.744578235744464e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| spack_intel-2023a_serial_omp | -3.744578235744492e+01 | -2.202682480856311e-13 | -2.202682480856311e-09 | PASS |
| spack_intel-2022a_impi_omp | -3.744578235744503e+01 | -3.268496584496461e-13 | -3.268496584496461e-09 | PASS |
| spack_foss-2023a_mpi_debug | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |