Match comparison for Benzene Energy [step 20] (match type 30136)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565861329850e+01 | 1.870000000000000e-12 | -3.744565861329853e+01 | 8.182961016698331e-14 | -3.744565861329853e+01 | 1.740829702612245e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -37.4456586132985, precision: 0.00000000000187| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -3.744565861329864e+01 | -1.421085471520200e-13 | -7.599387548236367e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2022a_mpi_min | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2022a_mpi | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2022a_serial | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2023a_mpi_min | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2023a_serial_min | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2023a_mpi_debug | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| spack_foss-2023a_serial_opt | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -3.744565861329846e+01 | 3.552713678800501e-14 | 1.899846887059092e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.744565861329865e+01 | -1.563194018672220e-13 | -8.359326303060002e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| spack_intel-2023a_serial | -3.744565861329867e+01 | -1.705302565824240e-13 | -9.119265057883640e-02 | PASS |
| spack_intel-2023a_impi | -3.744565861329863e+01 | -1.350031197944190e-13 | -7.219418170824547e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744565861329840e+01 | 9.947598300641403e-14 | 5.319571283765456e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.744565861329865e+01 | -1.563194018672220e-13 | -8.359326303060002e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.744565861329870e+01 | -2.060573933704291e-13 | -1.101911194494273e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.744565861329836e+01 | 1.421085471520200e-13 | 7.599387548236367e-02 | PASS |