Match comparison for z (C6) (t=400 au) (match type 26055)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.035385160000000e+00 | 1.000000000000000e-04 | 1.035393735233163e+00 | 1.064977549660319e-14 | 1.035393735233157e+00 | 1.532107773982716e-14 | PASS |
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Detailed information
Reference: 1.03538516, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 1.035393735233171e+00 | 8.575233171326246e-06 | 8.575233171326246e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.035393735233173e+00 | 8.575233172880559e-06 | 8.575233172880559e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.035393735233142e+00 | 8.575233142238403e-06 | 8.575233142238403e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.035393735233142e+00 | 8.575233142238403e-06 | 8.575233142238403e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.035393735233172e+00 | 8.575233172436469e-06 | 8.575233172436469e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.035393735233148e+00 | 8.575233148011563e-06 | 8.575233148011563e-02 | PASS |