Match comparison for Benzene Energy [step 0] (match type 24557)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
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 | -3.744578235744471e+01 | 9.720373904202135e-14 | -3.744578235744478e+01 | 1.776356839400250e-13 | PASS |
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Detailed information
Reference: -37.44578235744467, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| foss-2022a_ppc | -3.744578235744475e+01 | -7.815970093361102e-14 | -7.815970093361102e-10 | PASS |
| spack_foss-2022a_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 |
| foss-2022a_opt | -3.744578235744470e+01 | -2.842170943040401e-14 | -2.842170943040401e-10 | PASS |
| intel-2022b | -3.744578235744461e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| intel-2022a | -3.744578235744461e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| spack_foss-2022a_serial_omp | -3.744578235744481e+01 | -1.350031197944190e-13 | -1.350031197944190e-09 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| spack_foss-2022a_serial_debug | -3.744578235744460e+01 | 7.105427357601002e-14 | 7.105427357601002e-10 | PASS |
| foss-2022a_omp | -3.744578235744484e+01 | -1.705302565824240e-13 | -1.705302565824240e-09 | PASS |
| intel-2022a_omp | -3.744578235744495e+01 | -2.842170943040401e-13 | -2.842170943040401e-09 | PASS |
| intel-2022b_impi | -3.744578235744461e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| intel-2022a_impi | -3.744578235744461e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744578235744471e+01 | -4.263256414560601e-14 | -4.263256414560601e-10 | PASS |
| eb_fosscuda-2022a | -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 |
| foss-2022a_mpi_omp | -3.744578235744477e+01 | -9.947598300641403e-14 | -9.947598300641403e-10 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -7.815970093361102e-14 | -7.815970093361102e-10 | PASS |
| eb_foss-2022a | -3.744578235744470e+01 | -2.842170943040401e-14 | -2.842170943040401e-10 | PASS |
| eb_foss-2022b_libxc6 | -3.744578235744471e+01 | -3.552713678800501e-14 | -3.552713678800501e-10 | PASS |
| eb_foss-2022a_debug | -3.744578235744470e+01 | -2.842170943040401e-14 | -2.842170943040401e-10 | PASS |
| intel-2022a_omp_impi | -3.744578235744472e+01 | -4.973799150320701e-14 | -4.973799150320701e-10 | PASS |
| eb_foss-2022a_mpi | -3.744578235744478e+01 | -1.136868377216160e-13 | -1.136868377216160e-09 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744578235744482e+01 | -1.492139745096210e-13 | -1.492139745096210e-09 | PASS |
| eb_foss-2022a_mpi_debug | -3.744578235744478e+01 | -1.136868377216160e-13 | -1.136868377216160e-09 | PASS |