Match comparison for Energy [step 10] (match type 24685)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470492354799226e+01 | 1.930000000000000e-11 | -2.470492354799881e+01 | 5.681176128765789e-12 | -2.470492354799225e+01 | 1.754507650275627e-11 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -24.704923547992262, precision: 0.0000000000193| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470492354800390e+01 | -1.163869001175044e-11 | -6.030409332513181e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.470492354799767e+01 | -5.403677505455562e-12 | -2.799832904381120e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.470492354799767e+01 | -5.403677505455562e-12 | -2.799832904381120e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.470492354799767e+01 | -5.403677505455562e-12 | -2.799832904381120e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.470492354799767e+01 | -5.403677505455562e-12 | -2.799832904381120e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470492354799765e+01 | -5.389466650740360e-12 | -2.792469767222984e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470492354799765e+01 | -5.389466650740360e-12 | -2.792469767222984e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470492354799765e+01 | -5.389466650740360e-12 | -2.792469767222984e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.470492354799790e+01 | -5.641709321935195e-12 | -2.923165451779894e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.470492354799765e+01 | -5.389466650740360e-12 | -2.792469767222984e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470492354800386e+01 | -1.159605744760484e-11 | -6.008319921038775e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.470492354799765e+01 | -5.389466650740360e-12 | -2.792469767222984e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470492354800386e+01 | -1.159605744760484e-11 | -6.008319921038775e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.470492354799790e+01 | -5.638156608256395e-12 | -2.921324667490360e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470492354797470e+01 | 1.755751100063208e-11 | 9.097155958876723e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470492354800369e+01 | -1.142907990470121e-11 | -5.921803059430679e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470492354799765e+01 | -5.389466650740360e-12 | -2.792469767222984e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.470492354800979e+01 | -1.753264200488047e-11 | -9.084270468849985e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470492354799774e+01 | -5.474731779031572e-12 | -2.836648590171799e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470492354800967e+01 | -1.740474431244365e-11 | -9.018002234426763e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470492354800375e+01 | -1.148947603724082e-11 | -5.953096392352756e-01 | PASS |