Match comparison for k-point 1 - band 4 (match type 22692)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 06-octopus_basics-periodic_systems.03-bandstructure.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.104703200000000e-01 | 5.520000000000000e-08 | 1.104703270370370e-01 | 4.566232598725292e-09 | 1.104703250000000e-01 | 5.000000004307115e-09 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.11047032, precision: 0.0000000552| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2022a_ppc | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2022a_mpi | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2022a_serial | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2022a_serial_min | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_mpi | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_serial_min | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_serial | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023b_serial | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | 1.104703300000000e-01 | 1.000000000861423e-08 | 1.811594204459100e-01 | PASS |
| spack_intel-2023a_serial | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | 1.104703200000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |