Match comparison for Total Energy (match type 11364)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 01-octopus_basics-getting_started.02-H_atom_spin.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.794138200000000e-01 | 1.000000000000000e-04 | -4.794385720000000e-01 | 2.424593986627231e-06 | -4.794343600000000e-01 | 4.859999999995424e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.47941382, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.794295000000000e-01 | -1.568000000001790e-05 | -1.568000000001790e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.794295000000000e-01 | -1.568000000001790e-05 | -1.568000000001790e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.794392200000000e-01 | -2.540000000000875e-05 | -2.540000000000875e-01 | PASS |