Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit 37e237ddc5fb12f3241bf77b2f48251725ccbfb8 >
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 | -1.208150835792538e-03 | 2.852274595613825e-06 | -1.211520628226222e-03 | 4.675348474918184e-06 | PASS |
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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 | -1.207138569746607e-03 | 4.382058479614421e-06 | 8.525405602362686e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.206995609618219e-03 | 4.525018608002524e-06 | 8.803538147864832e-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 |
| eb_foss-2022a_mpi | -1.206943963599619e-03 | 4.576664626603161e-06 | 8.904016783274633e-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 |
| foss-2022a_omp | -1.207124443779295e-03 | 4.396184446926960e-06 | 8.552888029040778e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.207036537173661e-03 | 4.484091052560585e-06 | 8.723912553619816e-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 | -1.207097465931672e-03 | 4.423162294549471e-06 | 8.605374113909477e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| intel-2022a_impi | -1.206968495410396e-03 | 4.552132815825944e-06 | 8.856289524953198e-01 | PASS |
| intel-2022b_impi | -1.206993305980619e-03 | 4.527322245602644e-06 | 8.808019933079075e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_mpi_omp | -1.206968809634612e-03 | 4.551818591609852e-06 | 8.855678193793487e-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_omp | -1.207017478341954e-03 | 4.503149884267860e-06 | 8.760991992739028e-01 | PASS |
| intel-2022a_omp_impi | -1.207561561372097e-03 | 3.959066854124444e-06 | 7.702464696740163e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207494831392097e-03 | 4.025796834124457e-06 | 7.832289560553418e-01 | PASS |