Match comparison for y (C3) (t=400 au) (match type 26046)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.455055999999999e-01 | 1.000000000000000e-04 | 9.455131180888262e-01 | 6.571294945423949e-15 | 9.455131180888223e-01 | 8.437694987151190e-15 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.9455056, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
| cmake_foss_2022a_full_serial | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| cmake_foss_2022a_full_mpi | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| spack_foss-2022a_serial | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| spack_foss-2022a_cuda_serial | 9.455131180888207e-01 | 7.518088820712698e-06 | 7.518088820712698e-02 | PASS |
| spack_intel-2022a_serial_omp | 9.455131180888300e-01 | 7.518088830038572e-06 | 7.518088830038572e-02 | PASS |