Match comparison for Benzene Multipoles [step 0] (match type 20337)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 2.540000000000000e-14 | 3.493078274120354e-15 | 7.088194680695838e-15 | 1.373593664276292e-15 | 1.575853401375609e-14 | PASS |
Checks for this match
-
Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 5.397419391059593e-15 | 5.397419391059593e-15 | 2.124968264196690e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| cmake_foss_2022a_full_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| cmake_foss_2022a_min_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.713212767803238e-14 | 1.713212767803238e-14 | 6.744932156705660e-01 | PASS |
| spack_foss-2022a_cuda_serial | 5.966166988836511e-15 | 5.966166988836511e-15 | 2.348884641274217e-01 | PASS |
| spack_foss-2022a_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2022a_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.654939110270343e-15 | 8.654939110270343e-15 | 3.407456342626119e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2023a_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2023a_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2023a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2023a_serial_opt | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2023a_serial_debug | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2023b_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2023a_serial_omp | 9.350211227161867e-16 | 9.350211227161867e-16 | 3.681185522504672e-02 | PASS |
| spack_foss-2023a_mpi_omp | 1.174770128540850e-14 | 1.174770128540850e-14 | 4.625079246223818e-01 | PASS |
| spack_intel-2023a_serial | -3.557323540162215e-15 | -3.557323540162215e-15 | -1.400521078804022e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.438494034947979e-14 | -1.438494034947979e-14 | -5.663362342314879e-01 | PASS |
| spack_intel-2023a_impi | -4.539712113817707e-15 | -4.539712113817707e-15 | -1.787288233786499e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.438494034947979e-14 | -1.438494034947979e-14 | -5.663362342314879e-01 | PASS |
| spack_intel-2022a_impi_omp | -8.678914010852810e-15 | -8.678914010852810e-15 | -3.416895279863311e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |