Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
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 | -1.208207575570689e-03 | 2.891429525557445e-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 |
| 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 |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| eb_foss-2022a_debug | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| intel-2022b_impi | -1.207050642897181e-03 | 4.469985329040799e-06 | 8.696469511752527e-01 | PASS |
| intel-2022a_impi | -1.207234198715990e-03 | 4.286429510232332e-06 | 8.339357023798311e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207093707537327e-03 | 4.426920688895214e-06 | 8.612686165165787e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.206845279751304e-03 | 4.675348474918401e-06 | 9.096008706066928e-01 | PASS |
| eb_foss-2022a_mpi | -1.206968082397009e-03 | 4.552545829213323e-06 | 8.857093052944208e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.207037124062782e-03 | 4.483504163439950e-06 | 8.722770745992121e-01 | PASS |
| intel-2022a_omp_impi | -1.207094006111936e-03 | 4.426622114285734e-06 | 8.612105280711544e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.207046872409787e-03 | 4.473755816435327e-06 | 8.703805090341102e-01 | PASS |
| foss-2022a_mpi_omp | -1.207190577681358e-03 | 4.330050544863956e-06 | 8.424222849929877e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| foss-2022a_ppc | -1.206999593605332e-03 | 4.521034620890091e-06 | 8.795787200175275e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_opt | -1.207279040895154e-03 | 4.241587331067992e-06 | 8.252115430093371e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207207841210672e-03 | 4.312787015549541e-06 | 8.390636217022454e-01 | PASS |
| intel-2022b | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-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 |
| cmake_foss_2022a_full_mpi | -1.207552405852852e-03 | 3.968222373369962e-06 | 7.720276990992144e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_omp | -1.207124443779295e-03 | 4.396184446926960e-06 | 8.552888029040778e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |