Match comparison for z (H5) (t=400 au) (match type 26066)
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.371839899999999e-01 | 1.000000000000000e-04 | -5.371868782915368e-01 | 5.958043178071042e-14 | -5.371868782915792e-01 | 1.071920330275589e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.53718399, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_opt | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| spack_foss-2022a_serial | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| spack_foss-2023a_serial | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| spack_foss-2023b_serial | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| spack_foss-2022a_ppc | -5.371868782916333e-01 | -2.888291633307283e-06 | -2.888291633307283e-02 | PASS |
| spack_foss-2023a_serial_omp | -5.371868782915507e-01 | -2.888291550706690e-06 | -2.888291550706690e-02 | PASS |
| cmake_foss_2022a_full_mpi | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| spack_foss-2022a_cuda_serial | -5.371868782916863e-01 | -2.888291686375943e-06 | -2.888291686375943e-02 | PASS |
| cmake_foss_2022a_full_serial | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| spack_intel-2023a_serial | -5.371868782914719e-01 | -2.888291471991877e-06 | -2.888291471991877e-02 | PASS |
| spack_intel-2022a_serial_omp | -5.371868782915384e-01 | -2.888291538494236e-06 | -2.888291538494236e-02 | PASS |
| spack_intel-2023a_serial_omp | -5.371868782915384e-01 | -2.888291538494236e-06 | -2.888291538494236e-02 | PASS |