Match comparison for Benzene Energy [step 0] (match type 24557)
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744467e+01 | 1.000000000000000e-04 | -3.744578235744474e+01 | 1.334988598106856e-13 | -3.744578235744478e+01 | 2.486899575160351e-13 | PASS |
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Detailed information
Reference: -37.44578235744467, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2023a_serial_min | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2023a_serial_opt | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2023a_serial | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2023b_serial | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2022a_ppc | -3.744578235744483e+01 | -1.563194018672220e-13 | -1.563194018672220e-09 | PASS |
| spack_foss-2023a_mpi_min | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2022a_mpi_min | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2022a_cuda_serial | -3.744578235744463e+01 | 4.263256414560601e-14 | 4.263256414560601e-10 | PASS |
| spack_foss-2023a_serial_omp | -3.744578235744480e+01 | -1.278976924368180e-13 | -1.278976924368180e-09 | PASS |
| spack_foss-2023a_serial_debug | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2023a_mpi_opt | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2023a_mpi | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2022a_mpi | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2023a_mpi_debug | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578235744473e+01 | -5.684341886080801e-14 | -5.684341886080801e-10 | PASS |
| spack_foss-2023a_mpi_omp | -3.744578235744483e+01 | -1.563194018672220e-13 | -1.563194018672220e-09 | PASS |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -7.815970093361102e-14 | -7.815970093361102e-10 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_intel-2023a_serial | -3.744578235744453e+01 | 1.421085471520200e-13 | 1.421085471520200e-09 | PASS |
| spack_intel-2022a_serial_omp | -3.744578235744492e+01 | -2.486899575160351e-13 | -2.486899575160351e-09 | PASS |
| spack_intel-2022a_impi_omp | -3.744578235744503e+01 | -3.552713678800501e-13 | -3.552713678800501e-09 | PASS |
| spack_intel-2023a_serial_omp | -3.744578235744492e+01 | -2.486899575160351e-13 | -2.486899575160351e-09 | PASS |
| spack_intel-2023a_impi | -3.744578235744464e+01 | 2.842170943040401e-14 | 2.842170943040401e-10 | PASS |