Match comparison for z (C5) (t=400 au) (match type 26054)
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.973097900000000e-01 | 1.000000000000000e-04 | -2.973146144558260e-01 | 1.950969846715510e-14 | -2.973146144558372e-01 | 3.766431611040844e-14 | PASS |
Checks do not indicate problems with this match.
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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 |
| spack_foss-2022a_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2023a_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2023b_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2023a_serial_omp | -2.973146144558524e-01 | -4.824455852370235e-06 | -4.824455852370235e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.973146144558643e-01 | -4.824455864305133e-06 | -4.824455864305133e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.973146144558748e-01 | -4.824455874796740e-06 | -4.824455874796740e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.973146144557995e-01 | -4.824455799468108e-06 | -4.824455799468108e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.973146144557995e-01 | -4.824455799468108e-06 | -4.824455799468108e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.973146144558323e-01 | -4.824455832330710e-06 | -4.824455832330710e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-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_intel-2023a_serial | -2.973146144558643e-01 | -4.824455864305133e-06 | -4.824455864305133e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.973146144557995e-01 | -4.824455799468108e-06 | -4.824455799468108e-02 | PASS |
| spack_foss-2022a_cuda_serial | -2.973146144558229e-01 | -4.824455822893814e-06 | -4.824455822893814e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.973146144558229e-01 | -4.824455822893814e-06 | -4.824455822893814e-02 | PASS |