Match comparison for y (H1) (t=400 au) (match type 26056)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.454878900000000e-01 | 1.000000000000000e-04 | 7.454913619307492e-01 | 4.384561085697647e-14 | 7.454913619307157e-01 | 6.933342788784103e-14 | PASS |
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Detailed information
Reference: 0.74548789, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 7.454913619307252e-01 | 3.471930725140737e-06 | 3.471930725140737e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 7.454913619307252e-01 | 3.471930725140737e-06 | 3.471930725140737e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 7.454913619306465e-01 | 3.471930646425925e-06 | 3.471930646425925e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 7.454913619307018e-01 | 3.471930701715031e-06 | 3.471930701715031e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 7.454913619307018e-01 | 3.471930701715031e-06 | 3.471930701715031e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| intel-serial: [intel2023a-serial] | 7.454913619307851e-01 | 3.471930785092781e-06 | 3.471930785092781e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 7.454913619306960e-01 | 3.471930695941872e-06 | 3.471930695941872e-02 | PASS |