Match comparison for y (C1) (t=400 au) (match type 26044)
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.172809400000000e-01 | 1.000000000000000e-04 | 4.172860461983696e-01 | 1.430509301726206e-14 | 4.172860461983814e-01 | 2.686739719592879e-14 | PASS |
Checks for this match
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Detailed information
Reference: 0.41728094, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 4.172860461984083e-01 | 5.106198408322271e-06 | 5.106198408322271e-02 | PASS |
| cmake_foss_2022a_full_serial | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2022a_serial | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss-2022a_opt | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| intel-2022b | 4.172860461983546e-01 | 5.106198354587477e-06 | 5.106198354587477e-02 | PASS |
| intel-2022a | 4.172860461983842e-01 | 5.106198384230431e-06 | 5.106198384230431e-02 | PASS |
| cmake_foss_2022a_full_mpi | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss-2022a_omp | 4.172860461983814e-01 | 5.106198381399363e-06 | 5.106198381399363e-02 | PASS |
| eb_fosscuda-2022a | 4.172860461983790e-01 | 5.106198379012383e-06 | 5.106198379012383e-02 | PASS |
| intel-2022a_omp | 4.172860461983637e-01 | 5.106198363746817e-06 | 5.106198363746817e-02 | PASS |
| eb_foss-2022a | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| eb_foss-2022b_libxc6 | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2022a_serial_omp | 4.172860461983686e-01 | 5.106198368576287e-06 | 5.106198368576287e-02 | PASS |