Match comparison for y (C6) (t=400 au) (match type 26049)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.455055999999999e-01 | 1.000000000000000e-04 | -9.455131153165476e-01 | 9.790013222781460e-15 | -9.455131153165561e-01 | 1.437738816889578e-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: [foss2022a-serial, foss-full] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -9.455131153165504e-01 | -7.515316550410489e-06 | -7.515316550410489e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -9.455131153165417e-01 | -7.515316541750749e-06 | -7.515316541750749e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -9.455131153165643e-01 | -7.515316564399299e-06 | -7.515316564399299e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -9.455131153165705e-01 | -7.515316570505526e-06 | -7.515316570505526e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -9.455131153165472e-01 | -7.515316547301865e-06 | -7.515316547301865e-02 | PASS |