Match comparison for y (H1) (t=400 au) (match type 26056)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.454878900000000e-01 | 1.000000000000000e-04 | 7.454913619307418e-01 | 6.392986523012518e-14 | 7.454913619306897e-01 | 9.214851104388799e-14 | PASS |
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Detailed information
Reference: 0.74548789, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| eb_fosscuda-2022a | 7.454913619307594e-01 | 3.471930759335606e-06 | 3.471930759335606e-02 | PASS |
| intel-2022a_omp | 7.454913619306022e-01 | 3.471930602128026e-06 | 3.471930602128026e-02 | PASS |
| eb_foss-2022b_libxc6 | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| cmake_foss_2022a_full_serial | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss-2022a_ppc | 7.454913619305975e-01 | 3.471930597465089e-06 | 3.471930597465089e-02 | PASS |
| spack_foss-2022a_serial | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss-2022a_opt | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| intel-2022b | 7.454913619307512e-01 | 3.471930751119956e-06 | 3.471930751119956e-02 | PASS |
| intel-2022a | 7.454913619307052e-01 | 3.471930705156723e-06 | 3.471930705156723e-02 | PASS |
| spack_foss-2022a_serial_omp | 7.454913619307627e-01 | 3.471930762666275e-06 | 3.471930762666275e-02 | PASS |
| cmake_foss_2022a_full_mpi | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss-2022a_omp | 7.454913619307740e-01 | 3.471930773990550e-06 | 3.471930773990550e-02 | PASS |