Match comparison for y (H2) (t=400 au) (match type 26057)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.434725530000000e+00 | 1.000000000000000e-04 | 2.434731949455804e+00 | 4.442431341005635e-14 | 2.434731949455791e+00 | 5.351274978693255e-14 | PASS |
Checks for this match
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Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2.43472553, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 2.434731949455737e+00 | 6.419455736761392e-06 | 6.419455736761392e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 2.434731949455737e+00 | 6.419455736761392e-06 | 6.419455736761392e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 2.434731949455767e+00 | 6.419455766959459e-06 | 6.419455766959459e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| intel-serial: [intel2023a-serial] | 2.434731949455775e+00 | 6.419455774953065e-06 | 6.419455774953065e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 2.434731949455751e+00 | 6.419455750972247e-06 | 6.419455750972247e-02 | PASS |