Match comparison for Forces [step 20] (match type 22548)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
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 | -9.513371027087176e-03 | 6.017280562036977e-15 | -9.513371027082496e-03 | 1.598721155460225e-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 |
| spack_foss-2022a_serial_min | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2023a_serial_min | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2023a_serial_opt | -9.513371027086936e-03 | 1.306420249758133e-14 | 2.744580356634734e-03 | PASS |
| spack_foss-2022a_serial | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2023a_serial | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2023b_serial | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| spack_foss-2022a_ppc | -9.513371027066508e-03 | 3.349230615068421e-14 | 7.036198771152146e-03 | PASS |
| spack_foss-2022a_cuda_serial | -9.513371027094042e-03 | 5.958775139980332e-15 | 1.251843516802591e-03 | PASS |
| spack_foss-2022a_mpi_min | -9.513371027084494e-03 | 1.550669315175668e-14 | 3.257708645327033e-03 | PASS |
| spack_foss-2023a_mpi_min | -9.513371027084494e-03 | 1.550669315175668e-14 | 3.257708645327033e-03 | PASS |
| spack_foss-2023a_serial_omp | -9.513371027085826e-03 | 1.417442552220649e-14 | 2.977820487858507e-03 | PASS |
| spack_foss-2023a_mpi_opt | -9.513371027084938e-03 | 1.506260394190662e-14 | 3.164412592837524e-03 | PASS |
| spack_foss-2023a_serial_debug | -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-2023a_mpi | -9.513371027084494e-03 | 1.550669315175668e-14 | 3.257708645327033e-03 | PASS |
| spack_foss-2023a_mpi_debug | -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-2023a_mpi_omp | -9.513371027084716e-03 | 1.528464854683165e-14 | 3.211060619082279e-03 | PASS |
| cmake_foss_2022a_min_serial | -9.513371027086936e-03 | 1.306420249758133e-14 | 2.744580356634734e-03 | PASS |
| cmake_foss_2022a_full_serial | -9.513371027086936e-03 | 1.306420249758133e-14 | 2.744580356634734e-03 | PASS |
| cmake_foss_2022a_min_mpi | -9.513371027086048e-03 | 1.395238091728146e-14 | 2.931172461613752e-03 | PASS |
| cmake_foss_2022a_full_mpi | -9.513371027084938e-03 | 1.506260394190662e-14 | 3.164412592837524e-03 | PASS |
| spack_intel-2023a_serial | -9.513371027096262e-03 | 3.738329090730019e-15 | 7.853632543550461e-04 | PASS |
| spack_intel-2022a_serial_omp | -9.513371027098483e-03 | 1.517883041479706e-15 | 3.188829919075013e-04 | PASS |
| spack_intel-2022a_impi_omp | -9.513371027095374e-03 | 4.626507510430145e-15 | 9.719553593340640e-04 | PASS |
| spack_intel-2023a_impi | -9.513371027096706e-03 | 3.294239880879957e-15 | 6.920672018655371e-04 | PASS |