Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.208196474018210e-03 | 2.894731253047703e-06 | -1.211520628226222e-03 | 4.675348474918184e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.001211520628226222, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| foss-2022a_ppc | -1.206999593605332e-03 | 4.521034620890091e-06 | 8.795787200175275e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_opt | -1.207279040895154e-03 | 4.241587331067992e-06 | 8.252115430093371e-01 | PASS |
| intel-2022b | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207008351042899e-03 | 4.512277183323305e-06 | 8.778749383897481e-01 | PASS |
| intel-2022a | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207175196768634e-03 | 4.345431457587973e-06 | 8.454146804645862e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.207017478341954e-03 | 4.503149884267860e-06 | 8.760991992739028e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_omp | -1.207124443779295e-03 | 4.396184446926960e-06 | 8.552888029040778e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| intel-2022b_impi | -1.207071636654733e-03 | 4.448991571488975e-06 | 8.655625625464932e-01 | PASS |
| intel-2022a_impi | -1.207011849529288e-03 | 4.508778696933830e-06 | 8.771942990143637e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207300377270681e-03 | 4.220250955540511e-06 | 8.210604971868699e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |
| foss-2022a_mpi_omp | -1.206974016401866e-03 | 4.546611824356389e-06 | 8.845548296413209e-01 | PASS |
| eb_foss-2022a | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.206845279751304e-03 | 4.675348474918401e-06 | 9.096008706066928e-01 | PASS |
| eb_foss-2022a_debug | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| intel-2022a_omp_impi | -1.207317486749696e-03 | 4.203141476526390e-06 | 8.177318047716712e-01 | PASS |
| eb_foss-2022a_mpi | -1.207106207323921e-03 | 4.414420902300537e-06 | 8.588367514203379e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.207068939913084e-03 | 4.451688313138408e-06 | 8.660872204549432e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.207152756857649e-03 | 4.367871368572912e-06 | 8.497804219013448e-01 | PASS |