Match comparison for Tot. Maxwell energy [step 300] (match type 20973)
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
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 | 1.401527202555316e-06 | 4.516467373669611e-20 | 1.401527202555324e-06 | 7.083313021414087e-20 | PASS |
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Detailed information
Reference: 0.0000014015271299226352, precision: 0.00000000006| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 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_serial_opt | 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_ppc | 1.401527202555395e-06 | 7.263276013079988e-14 | 1.210546002179998e-03 | PASS |
| spack_foss-2022a_mpi_min | 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-2022a_mpi_opt | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2022a_serial_debug | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_intel-2022a_serial_omp | 1.401527202555313e-06 | 7.263267733332928e-14 | 1.210544622222155e-03 | PASS |
| spack_foss-2022a_mpi | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_intel-2023a_impi | 1.401527202555321e-06 | 7.263268601541699e-14 | 1.210544766923616e-03 | PASS |
| spack_foss-2022a_mpi_debug | 1.401527202555254e-06 | 7.263261846453945e-14 | 1.210543641075658e-03 | PASS |
| spack_foss-2022a_cuda_serial | 1.401527202555339e-06 | 7.263270380310888e-14 | 1.210545063385148e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401527202555324e-06 | 7.263268855651583e-14 | 1.210544809275264e-03 | PASS |
| spack_intel-2022a_impi_omp | 1.401527202555353e-06 | 7.263271735563604e-14 | 1.210545289260601e-03 | PASS |