Match comparison for N_electrons [step 500] (match type 30971)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.319032666539140e+00 | 3.060000000000000e-07 | 2.319032775555613e+00 | 1.067523272591010e-07 | 2.319032666539140e+00 | 2.783311552345680e-07 | PASS |
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Detailed information
Reference: 2.31903266653914, precision: 0.000000306| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 2.319032944870295e+00 | 2.783311554566126e-07 | 9.095789394006947e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.319032904063763e+00 | 2.375246235253314e-07 | 7.762242598867040e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.319032842411105e+00 | 1.758719649913587e-07 | 5.747449836318912e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.319032796071777e+00 | 1.295326375050365e-07 | 4.233092728922762e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.319032388207985e+00 | -2.783311550125234e-07 | -9.095789379494227e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.319032944870295e+00 | 2.783311554566126e-07 | 9.095789394006947e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.319032783228810e+00 | 1.166896699267284e-07 | 3.813387906102234e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 2.319032904063763e+00 | 2.375246235253314e-07 | 7.762242598867040e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.319032724607231e+00 | 5.806809078023889e-08 | 1.897650025498003e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 2.319032656026448e+00 | -1.051269205021299e-08 | -3.435520277847382e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.319032796071777e+00 | 1.295326375050365e-07 | 4.233092728922762e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.319032476383351e+00 | -1.901557884487204e-07 | -6.214241452572561e-01 | PASS |