Match comparison for N_electrons [step 500] (match type 30971)
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.319032630881478e+00 | 3.060000000000000e-07 | 2.319032584688488e+00 | 1.647845547452694e-07 | 2.319032630881478e+00 | 2.780824017722949e-07 | PASS |
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Detailed information
Reference: 2.3190326308814777, precision: 0.000000306| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 2.319032824051243e+00 | 1.931697650725539e-07 | 6.312737420671696e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 2.319032824051245e+00 | 1.931697668489107e-07 | 6.312737478722573e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 2.319032824051245e+00 | 1.931697668489107e-07 | 6.312737478722573e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 2.319032824051243e+00 | 1.931697650725539e-07 | 6.312737420671696e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 2.319032381890960e+00 | -2.489905175373508e-07 | -8.136945017560483e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 2.319032648312711e+00 | 1.743123334563279e-08 | 5.696481485500911e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.319032832094391e+00 | 2.012129134421059e-07 | 6.575585406604768e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.319032908963879e+00 | 2.780824015502503e-07 | 9.087660181380729e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 2.319032789062367e+00 | 1.581808888317937e-07 | 5.169310092542277e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.319032523318571e+00 | -1.075629070257378e-07 | -3.515127680579666e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.319032381890960e+00 | -2.489905175373508e-07 | -8.136945017560483e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 2.319032487295788e+00 | -1.435856900044996e-07 | -4.692342810604562e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 2.319032789062367e+00 | 1.581808888317937e-07 | 5.169310092542277e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.319032352799076e+00 | -2.780824019943395e-07 | -9.087660195893449e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.319032832094391e+00 | 2.012129134421059e-07 | 6.575585406604768e-01 | PASS |
| valgrind: [foss2023a-serial] | 2.319032787701281e+00 | 1.568198033652379e-07 | 5.124830175334573e-01 | PASS |