Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.422367890290800e-02 | 2.910000000000000e-14 | -1.422367890291448e-02 | 6.007875081995179e-15 | -1.422367890291654e-02 | 8.326672684688674e-15 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -0.014223678902908, precision: 0.0000000000000291| Run | Value | Difference | Relative difference | Status |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -1.422367890292486e-02 | -1.686324690997054e-14 | -5.794930209611870e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.422367890292486e-02 | -1.686324690997054e-14 | -5.794930209611870e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.422367890290976e-02 | -1.764213775068413e-15 | -6.062590292331316e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| intel_autotools: [intel2023a-serial] | -1.422367890292175e-02 | -1.375462244102010e-14 | -4.726674378357424e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.422367890291065e-02 | -2.652392194768538e-15 | -9.114749810201163e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.422367890291598e-02 | -7.981462712969289e-15 | -2.742770691742024e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.422367890292331e-02 | -1.530893467549532e-14 | -5.260802293984648e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.422367890291598e-02 | -7.981462712969289e-15 | -2.742770691742024e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.422367890291465e-02 | -6.649195083419102e-15 | -2.284946764061547e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.422367890292220e-02 | -1.419871165087017e-14 | -4.879282354250917e-01 | PASS |