Match comparison for Multipoles [step 0] (match type 12077)
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.208187184371250e-03 | 2.897928581045543e-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 |
| foss-2022a_ppc | -1.206999593605332e-03 | 4.521034620890091e-06 | 8.795787200175275e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207156169122398e-03 | 4.364459103824376e-06 | 8.491165571642754e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207041667097120e-03 | 4.478961129102338e-06 | 8.713932157786650e-01 | PASS |
| eb_foss-2022a | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| eb_foss-2022a_debug | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| eb_foss-2022a_mpi | -1.207119850996585e-03 | 4.400777229636660e-06 | 8.561823403962374e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.206845279751304e-03 | 4.675348474918401e-06 | 9.096008706066928e-01 | PASS |
| foss-2022a_opt | -1.207279040895154e-03 | 4.241587331067992e-06 | 8.252115430093371e-01 | PASS |
| intel-2022a | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.207017478341954e-03 | 4.503149884267860e-06 | 8.760991992739028e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.207228607191774e-03 | 4.292021034448196e-06 | 8.350235475580148e-01 | PASS |
| foss-2022a_omp | -1.207124443779295e-03 | 4.396184446926960e-06 | 8.552888029040778e-01 | PASS |
| intel-2022b | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.207074220043500e-03 | 4.446408182722178e-06 | 8.650599577280502e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| intel-2022a_impi | -1.206988931362507e-03 | 4.531696863714846e-06 | 8.816530863258456e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207270111061948e-03 | 4.250517164274209e-06 | 8.269488646447878e-01 | PASS |
| intel-2022b_impi | -1.207014599138759e-03 | 4.506029087463165e-06 | 8.766593555375808e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_mpi_omp | -1.207020056787064e-03 | 4.500571439157658e-06 | 8.755975562563537e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| intel-2022a_omp_impi | -1.207031074889842e-03 | 4.489553336380287e-06 | 8.734539564942192e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |