Match comparison for z (H6) (t=400 au) (match type 26067)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.843777430000000e+00 | 1.000000000000000e-04 | 1.843783870384360e+00 | 7.460599597766743e-14 | 1.843783870384330e+00 | 9.381384558082573e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 1.84377743, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |
| foss-2022a_ppc | 1.843783870384373e+00 | 6.440384373140873e-06 | 6.440384373140873e-02 | PASS |
| spack_foss-2022a_serial_opt | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |
| spack_foss-2022a_serial | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |
| foss-2022a_opt | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |
| intel-2022b | 1.843783870384252e+00 | 6.440384251682474e-06 | 6.440384251682474e-02 | PASS |
| intel-2022a | 1.843783870384236e+00 | 6.440384236139352e-06 | 6.440384236139352e-02 | PASS |
| spack_foss-2022a_serial_omp | 1.843783870384362e+00 | 6.440384361594553e-06 | 6.440384361594553e-02 | PASS |
| cmake_foss_2022a_full_mpi | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |
| foss-2022a_omp | 1.843783870384246e+00 | 6.440384246131359e-06 | 6.440384246131359e-02 | PASS |
| intel-2022a_omp | 1.843783870384324e+00 | 6.440384324069015e-06 | 6.440384324069015e-02 | PASS |
| eb_fosscuda-2022a | 1.843783870384271e+00 | 6.440384270778310e-06 | 6.440384270778310e-02 | PASS |
| eb_foss-2022a | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |
| eb_foss-2022b_libxc6 | 1.843783870384424e+00 | 6.440384423767043e-06 | 6.440384423767043e-02 | PASS |