Match comparison for nuclei-solvent int. energy (match type 25497)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.383747560000000e+01 | 1.190000000000000e-06 | 2.383747559999999e+01 | 1.065814103640150e-14 | 2.383747560000000e+01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: 23.837475599999998, precision: 0.00000119| Run | Value | Difference | Relative difference | Status |
| foss_mpi_min_autotools: [foss2022a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_min_autotools: [foss2022a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_min_autotools: [foss2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_min_autotools: [foss2023b-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_autotools: [foss2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_autotools: [foss2022a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| intel_autotools: [intel2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_autotools: [foss2023b-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |