Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
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 | -1.208165614554392e-03 | 2.845859822476451e-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_full_mpi | -1.207010857675314e-03 | 4.509770550907783e-06 | 8.773872667135764e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207054517409725e-03 | 4.466110816496666e-06 | 8.688931549604408e-01 | PASS |
| eb_foss-2022a | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |
| eb_foss-2022a_debug | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| eb_foss-2022a_mpi | -1.207317319804682e-03 | 4.203308421539759e-06 | 8.177642843462566e-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 |
| eb_foss-2022b_libxc6_mpi | -1.207210125549446e-03 | 4.310502676775846e-06 | 8.386191978163126e-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 | -1.207161771297663e-03 | 4.358856928559024e-06 | 8.480266397974756e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| intel-2022a_impi | -1.207572120004316e-03 | 3.948508221905895e-06 | 7.681922610711858e-01 | PASS |
| intel-2022b_impi | -1.207037888203838e-03 | 4.482740022383963e-06 | 8.721284090241174e-01 | PASS |
| foss-2022a_mpi_omp | -1.207107394619891e-03 | 4.413233606330664e-06 | 8.586057599865105e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.206990724531773e-03 | 4.529903694448995e-06 | 8.813042207099212e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-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-2022a_omp_impi | -1.207135457333017e-03 | 4.385170893205165e-06 | 8.531460881722112e-01 | PASS |