Match comparison for z (C6) (t=400 au) (match type 26055)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.035385160000000e+00 | 1.000000000000000e-04 | 1.035393735233167e+00 | 6.785006179037270e-15 | 1.035393735233162e+00 | 1.443289932012704e-14 | PASS |
Checks for this match
- MPI builders have different values.
- OpenMP builders have different values.
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
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: [foss2023b-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: [foss2023a-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_autotools: [foss2022a-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_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 |
| foss_omp_autotools: [foss2023a-serial] | 1.035393735233177e+00 | 8.575233176877362e-06 | 8.575233176877362e-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 |