Match comparison for Initial energy (match type 29344)
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Input 24-adsic_freeze_orbitals.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.973057180000000e+00 | 9.870000000000000e-08 | -1.973057180000000e+00 | 4.440892098500626e-16 | -1.973057180000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -1.9730571799999999, precision: 0.0000000987| Run | Value | Difference | Relative difference | Status |
| foss_autotools: [foss2022a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_autotools: [foss2023b-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| intel_autotools: [intel2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_autotools: [foss2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.973057180000000e+00 | -2.220446049250313e-16 | -2.249692045846315e-09 | PASS |