Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
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 | -1.422367890291359e-02 | 5.290388637509275e-15 | -1.422367890291654e-02 | 8.326672684688674e-15 | PASS |
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Detailed information
Reference: -0.014223678902908, precision: 0.0000000000000291| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_autotools: [foss2023a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_autotools: [foss2022a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_autotools: [foss2023b-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.422367890290976e-02 | -1.764213775068413e-15 | -6.062590292331316e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.422367890291065e-02 | -2.652392194768538e-15 | -9.114749810201163e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.422367890290821e-02 | -2.099015405931937e-16 | -7.213111360590848e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.422367890292175e-02 | -1.375462244102010e-14 | -4.726674378357424e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.422367890290976e-02 | -1.764213775068413e-15 | -6.062590292331316e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.422367890291598e-02 | -7.981462712969289e-15 | -2.742770691742024e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.422367890291598e-02 | -7.981462712969289e-15 | -2.742770691742024e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.422367890290976e-02 | -1.764213775068413e-15 | -6.062590292331316e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| foss_mpi_debug_autotools: [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_cmake: [foss2022a-mpi, foss-min-mpi] | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| foss_mpi_omp_autotools: [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 |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.422367890291909e-02 | -1.109008718191973e-14 | -3.811026522996470e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.422367890292486e-02 | -1.686324690997054e-14 | -5.794930209611870e-01 | PASS |