Match comparison for X Velocity Atom 1 [step 20] (match type 24690)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.584986903741688e-01 | 9.530000000000000e-14 | -3.049122163113283e+00 | 5.163943837499202e-15 | -3.049122163113287e+00 | 6.439293542825908e-15 | FAIL |
Checks for this match
- OpenMP builders have different values.
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.1584986903741688, precision: 0.0000000000000953| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| cmake_foss_2022a_full_serial | -3.049122163113293e+00 | -2.890623472739124e+00 | -3.033183077375786e+13 | FAIL |
| cmake_foss_2022a_min_serial | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| eb_fosscuda-2022a | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| eb_foss-2022a_debug | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| eb_foss-2022b_libxc6 | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| eb_intel-2022a | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| intel-2022b | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| eb_intel-2022a_omp | -3.049122163113293e+00 | -2.890623472739124e+00 | -3.033183077375787e+13 | FAIL |
| spack_foss-2022a_serial | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| spack_foss-2022a_serial_min | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| spack_foss-2022a_serial_debug | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |
| spack_foss-2022a_serial_omp | -3.049122163113293e+00 | -2.890623472739124e+00 | -3.033183077375786e+13 | FAIL |
| spack_foss-2022a_serial_opt | -3.049122163113280e+00 | -2.890623472739112e+00 | -3.033183077375773e+13 | FAIL |