Match comparison for Dipolar field [step 20] (match type 29262)
Commits >
Commit cbc1abc06e6e7cc5a3148786399a656e257098a6 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.022778092351507e-07 | 1.000000000000000e-12 | 1.025474172863198e-07 | 9.532084062191289e-10 | 1.040976635805385e-07 | 1.819854345389178e-09 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00000010227780923515074, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.022778092351540e-07 | 3.255782891008717e-21 | 3.255782891008717e-09 | PASS |
| cmake_foss_2022a_full_serial | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| cmake_foss_2022a_min_serial | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| cmake_foss_2022a_min_mpi | 1.022778092351518e-07 | 1.058791184067875e-21 | 1.058791184067875e-09 | PASS |
| cmake_foss_2022a_full_mpi | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2022a_serial | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2022a_serial_min | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2022a_mpi_min | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2022a_mpi | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2023a_mpi_min | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2023a_mpi | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2023a_serial | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2023a_mpi_debug | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2023a_serial_min | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2023a_mpi_opt | 1.022778092351493e-07 | -1.429368098491632e-21 | -1.429368098491632e-09 | PASS |
| spack_foss-2023a_serial_opt | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2023b_serial | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2023a_serial_debug | 1.022778092351520e-07 | 1.217609861678057e-21 | 1.217609861678057e-09 | PASS |
| spack_foss-2022a_cuda_serial | 1.059175179259277e-07 | 3.639708690776926e-09 | 3.639708690776926e+03 | FAIL |
| spack_foss-2023a_serial_omp | 1.022778092351518e-07 | 1.058791184067875e-21 | 1.058791184067875e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.059175179259275e-07 | 3.639708690776794e-09 | 3.639708690776793e+03 | FAIL |
| spack_foss-2023a_mpi_omp | 1.022778092351525e-07 | 1.747005453711994e-21 | 1.747005453711994e-09 | PASS |
| spack_intel-2022a_serial_omp | 1.022778092351511e-07 | 3.308722450212111e-22 | 3.308722450212111e-10 | PASS |
| spack_intel-2023a_serial | 1.022778092351525e-07 | 1.799945012915388e-21 | 1.799945012915388e-09 | PASS |
| spack_intel-2023a_serial_omp | 1.022778092351511e-07 | 3.308722450212111e-22 | 3.308722450212111e-10 | PASS |
| spack_intel-2023a_impi | 1.022778092351514e-07 | 6.485096002415737e-22 | 6.485096002415737e-10 | PASS |
| spack_intel-2022a_impi_omp | 1.022778092351495e-07 | -1.270549420881451e-21 | -1.270549420881451e-09 | PASS |