Match comparison for y (C3) (t=400 au) (match type 26046)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.455055999999999e-01 | 1.000000000000000e-04 | 9.455131180888258e-01 | 1.250196903782500e-14 | 9.455131180888163e-01 | 2.392530618067212e-14 | PASS |
Checks for this match
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Detailed information
Reference: 0.9455056, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-2022a_ppc | 9.455131180887925e-01 | 7.518088792513034e-06 | 7.518088792513034e-02 | PASS |
| spack_foss-2022a_serial_opt | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| spack_foss-2022a_serial | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-2022a_opt | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| intel-2022b | 9.455131180888371e-01 | 7.518088837143999e-06 | 7.518088837143999e-02 | PASS |
| intel-2022a | 9.455131180888178e-01 | 7.518088817826118e-06 | 7.518088817826118e-02 | PASS |
| spack_foss-2022a_serial_omp | 9.455131180888268e-01 | 7.518088826818925e-06 | 7.518088826818925e-02 | PASS |
| cmake_foss_2022a_full_mpi | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss-2022a_omp | 9.455131180888403e-01 | 7.518088840363646e-06 | 7.518088840363646e-02 | PASS |
| intel-2022a_omp | 9.455131180888270e-01 | 7.518088827040970e-06 | 7.518088827040970e-02 | PASS |
| eb_fosscuda-2022a | 9.455131180888035e-01 | 7.518088803504241e-06 | 7.518088803504241e-02 | PASS |
| eb_foss-2022a | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| eb_foss-2022b_libxc6 | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |