Match comparison for z (H5) (t=400 au) (match type 26066)
Commits >
Commit 6d797cea4015e569c9484b6f40396252a005b517 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.371839899999999e-01 | 1.000000000000000e-04 | -5.371868782915515e-01 | 7.988014157065721e-14 | -5.371868782915679e-01 | 1.461608611919019e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: -0.53718399, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss-2022a_ppc | -5.371868782915546e-01 | -2.888291554703493e-06 | -2.888291554703493e-02 | PASS |
| spack_foss-2022a_serial | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss-2022a_opt | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| intel-2022b | -5.371868782916310e-01 | -2.888291631086837e-06 | -2.888291631086837e-02 | PASS |
| intel-2022a | -5.371868782916784e-01 | -2.888291678493360e-06 | -2.888291678493360e-02 | PASS |
| spack_foss-2022a_serial_omp | -5.371868782916097e-01 | -2.888291609770555e-06 | -2.888291609770555e-02 | PASS |
| cmake_foss_2022a_full_mpi | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss-2022a_omp | -5.371868782915372e-01 | -2.888291537272991e-06 | -2.888291537272991e-02 | PASS |
| eb_fosscuda-2022a | -5.371868782914216e-01 | -2.888291421698774e-06 | -2.888291421698774e-02 | PASS |
| intel-2022a_omp | -5.371868782917140e-01 | -2.888291714020497e-06 | -2.888291714020497e-02 | PASS |
| eb_foss-2022a | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| eb_foss-2022b_libxc6 | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |