Match comparison for y (C5) (t=400 au) (match type 26048)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.362777940000000e+00 | 1.000000000000000e-04 | -1.362785864004225e+00 | 1.509495088075584e-14 | -1.362785864004217e+00 | 1.931788062847772e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -1.36277794, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss-2022a_ppc | -1.362785864004231e+00 | -7.924004230774884e-06 | -7.924004230774884e-02 | PASS |
| spack_foss-2022a_serial_opt | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| spack_foss-2022a_serial | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss-2022a_opt | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| intel-2022b | -1.362785864004236e+00 | -7.924004236325999e-06 | -7.924004236325999e-02 | PASS |
| intel-2022a | -1.362785864004198e+00 | -7.924004197690238e-06 | -7.924004197690238e-02 | PASS |
| spack_foss-2022a_serial_omp | -1.362785864004200e+00 | -7.924004199910684e-06 | -7.924004199910684e-02 | PASS |
| cmake_foss_2022a_full_mpi | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss-2022a_omp | -1.362785864004205e+00 | -7.924004205017710e-06 | -7.924004205017710e-02 | PASS |
| intel-2022a_omp | -1.362785864004205e+00 | -7.924004205239754e-06 | -7.924004205239754e-02 | PASS |
| eb_fosscuda-2022a | -1.362785864004226e+00 | -7.924004225667858e-06 | -7.924004225667858e-02 | PASS |
| eb_foss-2022a | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| eb_foss-2022b_libxc6 | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |