Match comparison for Total Energy (match type 11367)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 01-octopus_basics-getting_started.03-H_atom_independent.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.008908100000000e-01 | 1.000000000000000e-04 | -5.009143500000000e-01 | 0.000000000000000e+00 | -5.009143500000000e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -0.50089081, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial_min | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| foss-2022a_ppc | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial_opt | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| foss-2022a_opt | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| intel-2022b | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| intel-2022a | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| foss-2022a_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| intel-2022a_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| intel-2022b_impi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| intel-2022a_impi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_fosscuda-2022a | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| foss-2022a_mpi_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_foss-2022a | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_foss-2022b_libxc6 | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_foss-2022a_debug | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| intel-2022a_omp_impi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_foss-2022a_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| eb_foss-2022a_mpi_debug | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |