Match comparison for Multipoles [step 0] (match type 12077)
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
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 | -1.208152305844874e-03 | 2.850639629960178e-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 | -1.207068559369695e-03 | 4.452068856526875e-06 | 8.661612561336334e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207059032283353e-03 | 4.461595942868929e-06 | 8.680147748772236e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-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-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 |
| eb_foss-2022a_mpi | -1.207601792229368e-03 | 3.918835996853881e-06 | 7.624194546408329e-01 | PASS |
| intel-2022a | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-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 |
| eb_foss-2022b_libxc6_mpi | -1.207017684909481e-03 | 4.502943316740888e-06 | 8.760590110390832e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.207047452141383e-03 | 4.473176084839265e-06 | 8.702677207858491e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| intel-2022a_impi | -1.207148766315863e-03 | 4.371861910358816e-06 | 8.505567918986022e-01 | PASS |
| intel-2022b_impi | -1.206986599862778e-03 | 4.534028363444237e-06 | 8.821066854949878e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_mpi_omp | -1.207149104841473e-03 | 4.371523384748494e-06 | 8.504909308849210e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207129206366550e-03 | 4.391421859671835e-06 | 8.543622295081391e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.207017478341954e-03 | 4.503149884267860e-06 | 8.760991992739028e-01 | PASS |
| intel-2022a_omp_impi | -1.207030642952731e-03 | 4.489985273491365e-06 | 8.735379909516274e-01 | PASS |