Match comparison for 1s <L2> (match type 655)
Commits >
Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 >
Input 13-full_potential_hydrogen.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.200000000000000e-05 | 1.000000000000000e-04 | 7.499999999999999e-05 | 0.000000000000000e+00 | 7.499999999999999e-05 | 0.000000000000000e+00 | PASS |
Checks for this match
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.000042, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| spack_foss-2022a_serial | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| foss-2022a_opt | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| spack_foss-2022a_serial_min | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022a | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| foss-2022a_omp | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| spack_foss-2022a_serial_debug | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022b_libxc6 | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_fosscuda-2022a | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| spack_foss-2022a_serial_omp | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022a_debug | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| spack_foss-2022a_serial_opt | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022a_mpi | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022a_mpi_debug | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| foss-2022a_mpi_omp | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |
| eb_foss-2022a_valgrind | 7.499999999999999e-05 | 3.300000000000000e-05 | 3.300000000000000e-01 | PASS |