Match comparison for y (H3) (t=400 au) (match type 26058)
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.689228840000000e+00 | 1.000000000000000e-04 | 1.689234577910693e+00 | 5.850196245547867e-14 | 1.689234577910715e+00 | 8.959499808725013e-14 | PASS |
Checks for this match
- OpenMP builders have different values. 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: 1.68922884, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.689234577910805e+00 | 5.737910804937130e-06 | 5.737910804937130e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.689234577910805e+00 | 5.737910804937130e-06 | 5.737910804937130e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 1.689234577910796e+00 | 5.737910796055345e-06 | 5.737910796055345e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.689234577910626e+00 | 5.737910625747134e-06 | 5.737910625747134e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.689234577910626e+00 | 5.737910625747134e-06 | 5.737910625747134e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| intel-serial: [intel2023a-serial] | 1.689234577910717e+00 | 5.737910717007466e-06 | 5.737910717007466e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.689234577910666e+00 | 5.737910665715162e-06 | 5.737910665715162e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.689234577910702e+00 | 5.737910701908433e-06 | 5.737910701908433e-02 | PASS |