Match comparison for Number of excited electrons [step 100] (match type 28546)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Input 14-silicon_shifts.03-td_parstates.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.185219895782357e-05 | 3.230000000000000e-09 | 6.185379888315468e-05 | 2.945642401434269e-10 | 6.185436157218893e-05 | 7.181575889525504e-10 | PASS |
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: 0.00006185219895782357, precision: 0.00000000323| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| cmake_foss_2022a_full_mpi | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| spack_foss-2022a_serial_min | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| spack_foss-2022a_serial | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| spack_foss-2022a_mpi_min | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| spack_foss-2022a_mpi | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| spack_foss-2023a_mpi_min | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| spack_foss-2023a_mpi | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| spack_foss-2023a_serial | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| spack_foss-2023a_mpi_opt | 6.185372042771808e-05 | 1.521469894516514e-09 | 4.710433109958247e-01 | PASS |
| spack_foss-2023a_serial_min | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| spack_foss-2023a_serial_omp | 6.185367789490748e-05 | 1.478937083909670e-09 | 4.578752581763686e-01 | PASS |
| spack_foss-2023a_mpi_omp | 6.185371855421673e-05 | 1.519596393162459e-09 | 4.704632796168604e-01 | PASS |
| spack_foss-2023b_serial | 6.185373174211195e-05 | 1.532784288382771e-09 | 4.745462193135515e-01 | PASS |
| spack_intel-2022a_serial_omp | 6.185371539357831e-05 | 1.516435754744805e-09 | 4.694847537909613e-01 | PASS |
| spack_intel-2023a_serial | 6.185364341459998e-05 | 1.444456776411585e-09 | 4.472002403751036e-01 | PASS |
| spack_intel-2023a_serial_omp | 6.185370706601745e-05 | 1.508108193881696e-09 | 4.669065615732807e-01 | PASS |
| spack_intel-2023a_impi | 6.185368887900999e-05 | 1.489921186426102e-09 | 4.612759091102483e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 6.185507972977788e-05 | 2.880771954316685e-09 | 8.918798620175498e-01 | PASS |
| spack_foss-2022a_cuda_serial | 6.185433072070090e-05 | 2.131762877333188e-09 | 6.599885069142996e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.185371461198130e-05 | 1.515654157735469e-09 | 4.692427732927148e-01 | PASS |