Match comparison for Tot. Maxwell energy [step 300] (match type 20973)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
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 | 1.401523295951843e-06 | 1.381192910634471e-11 | 1.401500832981769e-06 | 2.636957361562686e-11 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.0000014015271299226352, precision: 0.00000000006| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| spack_foss-2022a_serial_min | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| foss-2022a_ppc | 1.401527202555329e-06 | 7.263269427398823e-14 | 1.210544904566470e-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 |
| foss-2022a_opt | 1.401527202555365e-06 | 7.263272963761377e-14 | 1.210545493960230e-03 | PASS |
| intel-2022b | 1.401527202555335e-06 | 7.263269977970238e-14 | 1.210544996328373e-03 | PASS |
| intel-2022a | 1.401527202555335e-06 | 7.263269977970238e-14 | 1.210544996328373e-03 | PASS |
| spack_foss-2022a_serial_omp | 1.401527202555385e-06 | 7.263274933112980e-14 | 1.210545822185497e-03 | PASS |
| cmake_foss_2022a_full_mpi | 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 |
| foss-2022a_omp | 1.401527202555333e-06 | 7.263269829739473e-14 | 1.210544971623245e-03 | PASS |
| intel-2022a_omp | 1.401527202555317e-06 | 7.263268135673578e-14 | 1.210544689278930e-03 | PASS |
| intel-2022b_impi | 1.401527202555365e-06 | 7.263273027288848e-14 | 1.210545504548141e-03 | PASS |
| intel-2022a_impi | 1.401527202555365e-06 | 7.263273027288848e-14 | 1.210545504548141e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.401474463408209e-06 | -5.266651442601841e-11 | -8.777752404336402e-01 | PASS |
| eb_fosscuda-2022a | 1.401474463408153e-06 | -5.266651448192259e-11 | -8.777752413653764e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.401527202555347e-06 | 7.263271227343836e-14 | 1.210545204557306e-03 | PASS |
| foss-2022a_mpi_omp | 1.401527202555318e-06 | 7.263268305080168e-14 | 1.210544717513361e-03 | PASS |
| cmake_foss_2022a_min_mpi | 1.401527202555340e-06 | 7.263270528541654e-14 | 1.210545088090276e-03 | PASS |
| eb_foss-2022a | 1.401527202555365e-06 | 7.263272963761377e-14 | 1.210545493960230e-03 | PASS |
| eb_foss-2022b_libxc6 | 1.401527202555278e-06 | 7.263264324025315e-14 | 1.210544054004219e-03 | PASS |
| eb_foss-2022a_debug | 1.401527202555365e-06 | 7.263272963761377e-14 | 1.210545493960230e-03 | PASS |
| intel-2022a_omp_impi | 1.401527202555285e-06 | 7.263264938124202e-14 | 1.210544156354034e-03 | PASS |
| eb_foss-2022a_mpi | 1.401527202555318e-06 | 7.263268305080168e-14 | 1.210544717513361e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.401527202555344e-06 | 7.263270846179009e-14 | 1.210545141029835e-03 | PASS |
| eb_foss-2022a_mpi_debug | 1.401527202555318e-06 | 7.263268305080168e-14 | 1.210544717513361e-03 | PASS |