Match comparison for Energy [step 10] (match type 24685)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | -2.470492354799883e+01 | 5.678755940886383e-12 | -2.470492354799227e+01 | 1.754330014591687e-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_min_autotools: [foss2022a-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470492354800390e+01 | -1.163869001175044e-11 | -6.030409332513181e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.470492354799768e+01 | -5.414335646491963e-12 | -2.805355257249722e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.470492354799787e+01 | -5.606182185147190e-12 | -2.904757608884554e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -2.470492354799768e+01 | -5.414335646491963e-12 | -2.805355257249722e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470492354799766e+01 | -5.400124791776761e-12 | -2.797992120091586e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.470492354799768e+01 | -5.414335646491963e-12 | -2.805355257249722e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.470492354799766e+01 | -5.400124791776761e-12 | -2.797992120091586e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.470492354799766e+01 | -5.400124791776761e-12 | -2.797992120091586e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470492354800389e+01 | -1.162803187071404e-11 | -6.024886979644580e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.470492354799795e+01 | -5.687894599759602e-12 | -2.947095647543835e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -2.470492354799768e+01 | -5.414335646491963e-12 | -2.805355257249722e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470492354799766e+01 | -5.400124791776761e-12 | -2.797992120091586e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470492354800389e+01 | -1.162803187071404e-11 | -6.024886979644580e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470492354799766e+01 | -5.400124791776761e-12 | -2.797992120091586e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470492354797472e+01 | 1.753974743223807e-11 | 9.087952037429053e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470492354799766e+01 | -5.400124791776761e-12 | -2.797992120091586e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470492354799775e+01 | -5.492495347425574e-12 | -2.845852511619468e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470492354800376e+01 | -1.150013417827722e-11 | -5.958618745221358e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.470492354800981e+01 | -1.754685285959567e-11 | -9.091633606008122e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470492354800967e+01 | -1.741184973980126e-11 | -9.021683803005831e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470492354800368e+01 | -1.142197447734361e-11 | -5.918121490851611e-01 | PASS |