Match comparison for Benzene Multipoles [step 0] (match type 20285)
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 2.540000000000000e-14 | 4.885641336383163e-15 | 7.594519779091068e-15 | 6.772909414546736e-15 | 1.360575608054964e-14 | PASS |
Checks for this match
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Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| foss-2022a_ppc | -6.359287337397262e-15 | -6.359287337397262e-15 | -2.503656432046166e-01 | PASS |
| spack_foss-2022a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_serial_opt | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| foss-2022a_opt | 9.726179926596289e-15 | 9.726179926596289e-15 | 3.829204695510350e-01 | PASS |
| intel-2022b | -5.048520320902356e-15 | -5.048520320902356e-15 | -1.987606425552109e-01 | PASS |
| intel-2022a | -5.048520320902356e-15 | -5.048520320902356e-15 | -1.987606425552109e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2022a_serial_omp | 2.037866549509638e-14 | 2.037866549509638e-14 | 8.023096651612746e-01 | PASS |
| spack_foss-2022a_serial_debug | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| foss-2022a_omp | 4.747030315328332e-15 | 4.747030315328332e-15 | 1.868909572963910e-01 | PASS |
| eb_fosscuda-2022a | 1.546769546122761e-15 | 1.546769546122761e-15 | 6.089643882373074e-02 | PASS |
| intel-2022a_omp | -6.832846666002902e-15 | -6.832846666002902e-15 | -2.690097112599568e-01 | PASS |
| intel-2022b_impi | -5.418728769161580e-15 | -5.418728769161580e-15 | -2.133357783134480e-01 | PASS |
| intel-2022a_impi | -5.418728769161580e-15 | -5.418728769161580e-15 | -2.133357783134480e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 4.866904818240664e-15 | 4.866904818240664e-15 | 1.916104259149868e-01 | PASS |
| cmake_foss_2022a_min_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| foss-2022a_mpi_omp | 2.277615555334301e-15 | 2.277615555334301e-15 | 8.966990375331893e-02 | PASS |
| cmake_foss_2022a_min_mpi | 1.713212767803238e-14 | 1.713212767803238e-14 | 6.744932156705660e-01 | PASS |
| eb_foss-2022a | 9.726179926596289e-15 | 9.726179926596289e-15 | 3.829204695510350e-01 | PASS |
| eb_foss-2022b_libxc6 | 4.026706130314403e-15 | 4.026706130314403e-15 | 1.585317374139529e-01 | PASS |
| eb_foss-2022a_debug | 9.726179926596289e-15 | 9.726179926596289e-15 | 3.829204695510350e-01 | PASS |
| intel-2022a_omp_impi | -6.545147859013307e-15 | -6.545147859013307e-15 | -2.576829865753270e-01 | PASS |
| eb_foss-2022a_mpi | 1.135836270543870e-14 | 1.135836270543870e-14 | 4.471796340723897e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.674484950681609e-14 | 1.674484950681609e-14 | 6.592460435754367e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.135836270543870e-14 | 1.135836270543870e-14 | 4.471796340723897e-01 | PASS |