Match comparison for z (H2) (t=400 au) (match type 26063)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.525258600000000e-01 | 1.000000000000000e-04 | 5.525290040787555e-01 | 6.564531033642333e-14 | 5.525290040787864e-01 | 1.247890679678676e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.55252586, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-2022a_ppc | 5.525290040787866e-01 | 3.144078786543325e-06 | 3.144078786543325e-02 | PASS |
| spack_foss-2022a_serial_opt | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| spack_foss-2022a_serial | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-2022a_opt | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| intel-2022b | 5.525290040787869e-01 | 3.144078786876392e-06 | 3.144078786876392e-02 | PASS |
| intel-2022a | 5.525290040789111e-01 | 3.144078911110348e-06 | 3.144078911110348e-02 | PASS |
| spack_foss-2022a_serial_omp | 5.525290040788191e-01 | 3.144078819072860e-06 | 3.144078819072860e-02 | PASS |
| cmake_foss_2022a_full_mpi | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-2022a_omp | 5.525290040786711e-01 | 3.144078671080131e-06 | 3.144078671080131e-02 | PASS |
| intel-2022a_omp | 5.525290040788482e-01 | 3.144078848160703e-06 | 3.144078848160703e-02 | PASS |
| eb_fosscuda-2022a | 5.525290040786616e-01 | 3.144078661532212e-06 | 3.144078661532212e-02 | PASS |
| eb_foss-2022a | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| eb_foss-2022b_libxc6 | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |