Match comparison for y (C3) (t=400 au) (match type 26046)
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.455055999999999e-01 | 1.000000000000000e-04 | 9.455131180888307e-01 | 1.072969173163630e-14 | 9.455131180888325e-01 | 1.859623566247137e-14 | PASS |
Checks for this match
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Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Zen 4 builders have different values.
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Detailed information
Reference: 0.9455056, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 9.455131180888511e-01 | 7.518088851132809e-06 | 7.518088851132809e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 9.455131180888511e-01 | 7.518088851132809e-06 | 7.518088851132809e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| intel-serial: [intel2023a-serial] | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 9.455131180888207e-01 | 7.518088820712698e-06 | 7.518088820712698e-02 | PASS |