Match comparison for z (C5) (t=400 au) (match type 26054)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.973097900000000e-01 | 1.000000000000000e-04 | -2.973146144558188e-01 | 9.784670411930299e-15 | -2.973146144558159e-01 | 1.643130076445232e-14 | PASS |
Checks for this match
- OpenMP builders have different values. Intel® builders have different values.
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Detailed information
Reference: -0.29730979, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.973146144558323e-01 | -4.824455832330710e-06 | -4.824455832330710e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2022a_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2022a_cuda_serial | -2.973146144558229e-01 | -4.824455822893814e-06 | -4.824455822893814e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.973146144557995e-01 | -4.824455799468108e-06 | -4.824455799468108e-02 | PASS |