Match comparison for MO Im alpha (w/o G=0) (match type 28895)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.655300000000000e-01 | 2.700000000000000e-07 | 2.655299696296296e-01 | 1.663214531761870e-07 | 2.655299000000000e-01 | 3.199999999980996e-07 | FAIL |
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: 0.26553, precision: 0.00000027| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.655298600000000e-01 | -1.399999999818213e-07 | -5.185185184511901e-01 | PASS |
| foss-2022a_ppc | 2.655299200000000e-01 | -8.000000001340268e-08 | -2.962962963459359e-01 | PASS |
| spack_foss-2022a_serial_min | 2.655298600000000e-01 | -1.399999999818213e-07 | -5.185185184511901e-01 | PASS |
| spack_foss-2022a_serial_opt | 2.655298600000000e-01 | -1.399999999818213e-07 | -5.185185184511901e-01 | PASS |
| spack_foss-2022a_serial | 2.655298600000000e-01 | -1.399999999818213e-07 | -5.185185184511901e-01 | PASS |
| foss-2022a_opt | 2.655301300000000e-01 | 1.299999999870849e-07 | 4.814814814336477e-01 | PASS |
| intel-2022b | 2.655298100000000e-01 | -1.900000000110147e-07 | -7.037037037444989e-01 | PASS |
| intel-2022a | 2.655298100000000e-01 | -1.900000000110147e-07 | -7.037037037444989e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.655302200000000e-01 | 2.199999999952240e-07 | 8.148148147971259e-01 | PASS |
| spack_foss-2022a_serial_omp | 2.655301400000000e-01 | 1.400000000373325e-07 | 5.185185186567870e-01 | PASS |
| spack_foss-2022a_serial_debug | 2.655298600000000e-01 | -1.399999999818213e-07 | -5.185185184511901e-01 | PASS |
| foss-2022a_omp | 2.655301100000000e-01 | 1.099999999976120e-07 | 4.074074073985630e-01 | PASS |
| eb_fosscuda-2022a | 2.655295800000000e-01 | -4.200000000009751e-07 | -1.555555555559167e+00 | FAIL |
| intel-2022a_omp | 2.655301900000000e-01 | 1.900000000110147e-07 | 7.037037037444989e-01 | PASS |
| intel-2022b_impi | 2.655301100000000e-01 | 1.099999999976120e-07 | 4.074074073985630e-01 | PASS |
| intel-2022a_impi | 2.655301100000000e-01 | 1.099999999976120e-07 | 4.074074073985630e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.655297300000000e-01 | -2.699999999689062e-07 | -9.999999998848378e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.655298600000000e-01 | -1.399999999818213e-07 | -5.185185184511901e-01 | PASS |
| foss-2022a_mpi_omp | 2.655300900000000e-01 | 9.000000000813912e-08 | 3.333333333634783e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.655302200000000e-01 | 2.199999999952240e-07 | 8.148148147971259e-01 | PASS |
| eb_foss-2022a | 2.655301300000000e-01 | 1.299999999870849e-07 | 4.814814814336477e-01 | PASS |
| eb_foss-2022b_libxc6 | 2.655300300000000e-01 | 2.999999998420932e-08 | 1.111111110526271e-01 | PASS |
| eb_foss-2022a_debug | 2.655301300000000e-01 | 1.299999999870849e-07 | 4.814814814336477e-01 | PASS |
| intel-2022a_omp_impi | 2.655298900000000e-01 | -1.099999999976120e-07 | -4.074074073985630e-01 | PASS |
| eb_foss-2022a_mpi | 2.655298200000000e-01 | -1.799999999607671e-07 | -6.666666665213596e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.655300300000000e-01 | 2.999999998420932e-08 | 1.111111110526271e-01 | PASS |
| eb_foss-2022a_mpi_debug | 2.655298200000000e-01 | -1.799999999607671e-07 | -6.666666665213596e-01 | PASS |