Match comparison for X Velocity Atom 1 [step 10] (match type 24689)
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.577300381184719e-01 | 8.390000000000000e-14 | -1.577300381169046e-01 | 5.810706333043387e-12 | -1.577300381074544e-01 | 1.109373704011318e-11 | 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: -0.1577300381184719, precision: 0.0000000000000839| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| foss-2022a_ppc | -1.577300381185481e-01 | -7.621681064051700e-14 | -9.084244414841119e-01 | PASS |
| spack_foss-2022a_serial_min | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| spack_foss-2022a_serial | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| foss-2022a_opt | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| intel-2022b | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| intel-2022a | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| foss-2022a_omp | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| eb_fosscuda-2022a | -1.577300380963607e-01 | 2.211120175843462e-11 | 2.635423332352159e+02 | FAIL |
| intel-2022a_omp | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| intel-2022b_impi | -1.577300381185481e-01 | -7.624456621613263e-14 | -9.087552588335235e-01 | PASS |
| intel-2022a_impi | -1.577300381185481e-01 | -7.624456621613263e-14 | -9.087552588335235e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.577300380963607e-01 | 2.211120175843462e-11 | 2.635423332352159e+02 | FAIL |
| cmake_foss_2022a_min_serial | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| foss-2022a_mpi_omp | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| eb_foss-2022a | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| eb_foss-2022a_debug | -1.577300381185482e-01 | -7.627232179174825e-14 | -9.090860761829351e-01 | PASS |
| intel-2022a_omp_impi | -1.577300381185481e-01 | -7.624456621613263e-14 | -9.087552588335235e-01 | PASS |
| eb_foss-2022a_mpi | -1.577300381185481e-01 | -7.624456621613263e-14 | -9.087552588335235e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.577300381185481e-01 | -7.624456621613263e-14 | -9.087552588335235e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.577300381185481e-01 | -7.624456621613263e-14 | -9.087552588335235e-01 | PASS |