Match comparison for z (H5) (t=400 au) (match type 26066)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.371839899999999e-01 | 1.000000000000000e-04 | -5.371868782915357e-01 | 5.575169648261315e-14 | -5.371868782915792e-01 | 1.071920330275589e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.53718399, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -5.371868782915689e-01 | -2.888291568914347e-06 | -2.888291568914347e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -5.371868782915689e-01 | -2.888291568914347e-06 | -2.888291568914347e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -5.371868782916333e-01 | -2.888291633307283e-06 | -2.888291633307283e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -5.371868782915384e-01 | -2.888291538494236e-06 | -2.888291538494236e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.371868782915384e-01 | -2.888291538494236e-06 | -2.888291538494236e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| intel-serial: [intel2023a-serial] | -5.371868782914719e-01 | -2.888291471991877e-06 | -2.888291471991877e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -5.371868782916863e-01 | -2.888291686375943e-06 | -2.888291686375943e-02 | PASS |