Match comparison for X Force Atom 1 [step 20] (match type 24692)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.668037079772286e+00 | 1.780000000000000e-10 | -2.946847808304336e+03 | 1.307292710093659e-11 | -2.946847808304345e+03 | 1.614353095646948e-11 | 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: -4.668037079772286, precision: 0.000000000178| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| cmake_foss_2022a_full_serial | -2.946847808304360e+03 | -2.942179771224588e+03 | -1.652909983834038e+13 | FAIL |
| cmake_foss_2022a_min_serial | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| eb_fosscuda-2022a | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| eb_foss-2022a_debug | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| eb_foss-2022b_libxc6 | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| eb_intel-2022a | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| intel-2022b | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| eb_intel-2022a_omp | -2.946847808304361e+03 | -2.942179771224589e+03 | -1.652909983834039e+13 | FAIL |
| spack_foss-2022a_serial | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| spack_foss-2022a_serial_min | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| spack_foss-2022a_serial_debug | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |
| spack_foss-2022a_serial_omp | -2.946847808304361e+03 | -2.942179771224589e+03 | -1.652909983834039e+13 | FAIL |
| spack_foss-2022a_serial_opt | -2.946847808304329e+03 | -2.942179771224557e+03 | -1.652909983834021e+13 | FAIL |