Match comparison for Tot. Maxwell energy [step 300] (match type 20973)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401527129922635e-06 | 6.000000000000000e-11 | 1.401527202555322e-06 | 4.476166723725120e-20 | 1.401527202555326e-06 | 7.210367963502232e-20 | PASS |
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Detailed information
Reference: 0.0000014015271299226352, precision: 0.00000000006| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.401527202555395e-06 | 7.263276013079988e-14 | 1.210546002179998e-03 | PASS |
| cmake_foss_2022a_full_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| cmake_foss_2022a_min_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401527202555324e-06 | 7.263268855651583e-14 | 1.210544809275264e-03 | PASS |
| cmake_foss_2022a_min_mpi | 1.401527202555340e-06 | 7.263270528541654e-14 | 1.210545088090276e-03 | PASS |
| cmake_foss_2022a_full_mpi | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2022a_serial_min | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2022a_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2022a_mpi_min | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2022a_mpi | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2023a_mpi | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2023a_mpi_min | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2023a_mpi_debug | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2023a_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2023a_serial_min | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2022a_cuda_serial | 1.401527202555339e-06 | 7.263270359135065e-14 | 1.210545059855844e-03 | PASS |
| spack_foss-2023a_mpi_opt | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2023a_serial_debug | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2023a_serial_opt | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2023b_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2023a_serial_omp | 1.401527202555344e-06 | 7.263270846179009e-14 | 1.210545141029835e-03 | PASS |
| spack_foss-2023a_mpi_omp | 1.401527202555398e-06 | 7.263276267189872e-14 | 1.210546044531645e-03 | PASS |
| spack_intel-2023a_serial | 1.401527202555369e-06 | 7.263273408453675e-14 | 1.210545568075613e-03 | PASS |
| spack_intel-2022a_serial_omp | 1.401527202555313e-06 | 7.263267733332928e-14 | 1.210544622222155e-03 | PASS |
| spack_intel-2023a_serial_omp | 1.401527202555313e-06 | 7.263267733332928e-14 | 1.210544622222155e-03 | PASS |
| spack_intel-2023a_impi | 1.401527202555321e-06 | 7.263268601541699e-14 | 1.210544766923616e-03 | PASS |
| spack_intel-2022a_impi_omp | 1.401527202555353e-06 | 7.263271735563604e-14 | 1.210545289260601e-03 | PASS |