Match comparison for z (C5) (t=400 au) (match type 26054)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.973097900000000e-01 | 1.000000000000000e-04 | -2.973146144558288e-01 | 1.657964684102260e-14 | -2.973146144558418e-01 | 2.248201624865942e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.29730979, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -2.973146144558643e-01 | -4.824455864305133e-06 | -4.824455864305133e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.973146144558618e-01 | -4.824455861807131e-06 | -4.824455861807131e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.973146144558323e-01 | -4.824455832330710e-06 | -4.824455832330710e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.973146144558229e-01 | -4.824455822893814e-06 | -4.824455822893814e-02 | PASS |