Match comparison for X Coordinate Atom 1 [step 20] (match type 24688)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.206882892344866e-01 | 2.080000000000000e-14 | -7.140398070898593e-01 | 2.500203658461160e-16 | -7.140398070898593e-01 | 2.775557561562891e-16 | FAIL |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.3206882892344866, precision: 0.0000000000000208| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| cmake_foss_2022a_full_serial | -7.140398070898596e-01 | -3.933515178553730e-01 | -1.891113066612370e+13 | FAIL |
| cmake_foss_2022a_min_serial | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| eb_fosscuda-2022a | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| eb_foss-2022a_debug | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| eb_foss-2022b_libxc6 | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| eb_intel-2022a | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| intel-2022b | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| eb_intel-2022a_omp | -7.140398070898596e-01 | -3.933515178553730e-01 | -1.891113066612370e+13 | FAIL |
| spack_foss-2022a_serial | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| spack_foss-2022a_serial_min | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| spack_foss-2022a_serial_debug | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |
| spack_foss-2022a_serial_omp | -7.140398070898596e-01 | -3.933515178553730e-01 | -1.891113066612370e+13 | FAIL |
| spack_foss-2022a_serial_opt | -7.140398070898590e-01 | -3.933515178553724e-01 | -1.891113066612368e+13 | FAIL |