Match comparison for Forces [step 20] (match type 22548)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.513371027100001e-03 | 4.760000000000000e-12 | -9.513371027088713e-03 | 6.916728054594596e-15 | -9.513371027083051e-03 | 1.609823385706477e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.0095133710271, precision: 0.00000000000476| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -9.513371027066952e-03 | 3.304821694083415e-14 | 6.942902718662637e-03 | PASS |
| cmake_foss_2022a_full_serial | -9.513371027086936e-03 | 1.306420249758133e-14 | 2.744580356634734e-03 | PASS |
| cmake_foss_2022a_min_serial | -9.513371027086936e-03 | 1.306420249758133e-14 | 2.744580356634734e-03 | PASS |
| cmake_foss_2022a_full_mpi | -9.513371027084938e-03 | 1.506260394190662e-14 | 3.164412592837524e-03 | PASS |
| eb_fosscuda-2022a | -9.513371027092932e-03 | 7.068998164605489e-15 | 1.485083648026363e-03 | PASS |
| cmake_foss_2022a_min_mpi | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| eb_foss-2022a_debug | -9.513371027087825e-03 | 1.217602407788121e-14 | 2.557988251655716e-03 | PASS |
| eb_foss-2022b_libxc6 | -9.513371027086714e-03 | 1.328624710250637e-14 | 2.791228382879489e-03 | PASS |
| eb_intel-2022a | -9.513371027096262e-03 | 3.738329090730019e-15 | 7.853632543550461e-04 | PASS |
| eb_foss-2022b_libxc6_mpi | -9.513371027084716e-03 | 1.528464854683165e-14 | 3.211060619082279e-03 | PASS |
| intel-2022b | -9.513371027096262e-03 | 3.738329090730019e-15 | 7.853632543550461e-04 | PASS |
| eb_intel-2022a_omp | -9.513371027098261e-03 | 1.739927646404738e-15 | 3.655310181522558e-04 | PASS |
| eb_foss-2022a_mpi_debug | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| eb_intel-2022a_impi | -9.513371027098483e-03 | 1.517883041479706e-15 | 3.188829919075013e-04 | PASS |
| spack_foss-2022a_serial | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2022a_mpi | -9.513371027084494e-03 | 1.550669315175668e-14 | 3.257708645327033e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.513371027093154e-03 | 6.846953559680458e-15 | 1.438435621781609e-03 | PASS |
| spack_foss-2022a_serial_min | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| intel-2022b_impi | -9.513371027098483e-03 | 1.517883041479706e-15 | 3.188829919075013e-04 | PASS |
| spack_foss-2022a_serial_debug | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2022a_serial_omp | -9.513371027086714e-03 | 1.328624710250637e-14 | 2.791228382879489e-03 | PASS |
| spack_foss-2022a_serial_opt | -9.513371027086936e-03 | 1.306420249758133e-14 | 2.744580356634734e-03 | PASS |
| spack_foss-2022a_mpi_omp | -9.513371027084494e-03 | 1.550669315175668e-14 | 3.257708645327033e-03 | PASS |
| eb_intel-2022a_omp_impi | -9.513371027099149e-03 | 8.517492267046123e-16 | 1.789389131732379e-04 | PASS |