Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit d3675615d01b7319f97a471d787a8168906684ed >
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 | -1.208156977490251e-03 | 2.848701671268611e-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_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-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 |
| cmake_foss_2022a_min_mpi | -1.207105777581707e-03 | 4.414850644514573e-06 | 8.589203588549754e-01 | PASS |
| foss-2022a_omp | -1.207124443779295e-03 | 4.396184446926960e-06 | 8.552888029040778e-01 | PASS |
| eb_foss-2022a | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207504259403205e-03 | 4.016368823016531e-06 | 7.813947126491305e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| intel-2022a_impi | -1.207329867595530e-03 | 4.190760630691731e-06 | 8.153230799011151e-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 |
| eb_foss-2022a_mpi | -1.207125782317631e-03 | 4.394845908591233e-06 | 8.550283868854539e-01 | PASS |
| foss-2022a_mpi_omp | -1.207066284656971e-03 | 4.454343569250613e-06 | 8.666038072472010e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.207046455036331e-03 | 4.474173189890568e-06 | 8.704617100954413e-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 |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.207167582614646e-03 | 4.353045611575840e-06 | 8.468960333805137e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.207017478341954e-03 | 4.503149884267860e-06 | 8.760991992739028e-01 | PASS |
| intel-2022b_impi | -1.207044297024035e-03 | 4.476331202187206e-06 | 8.708815568457600e-01 | PASS |
| intel-2022a_omp_impi | -1.206963629896252e-03 | 4.556998329970302e-06 | 8.865755505778798e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207011039571534e-03 | 4.509588654687475e-06 | 8.773518783438666e-01 | PASS |