Match comparison for y (C6) (t=400 au) (match type 26049)
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.455055999999999e-01 | 1.000000000000000e-04 | -9.455131153165443e-01 | 8.859737410890297e-15 | -9.455131153165507e-01 | 1.976196983832779e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.9455056, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -9.455131153165486e-01 | -7.515316548634132e-06 | -7.515316548634132e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -9.455131153165486e-01 | -7.515316548634132e-06 | -7.515316548634132e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| intel-serial: [intel2023a-serial] | -9.455131153165504e-01 | -7.515316550410489e-06 | -7.515316550410489e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -9.455131153165309e-01 | -7.515316530981586e-06 | -7.515316530981586e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -9.455131153165705e-01 | -7.515316570505526e-06 | -7.515316570505526e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -9.455131153165309e-01 | -7.515316530981586e-06 | -7.515316530981586e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -9.455131153165472e-01 | -7.515316547301865e-06 | -7.515316547301865e-02 | PASS |