Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit 2b00e292f829221e67a290b840b53bb41bb59499 >
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 | -1.208273715995478e-03 | 2.883926798642547e-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 |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_ppc | -1.206999593605332e-03 | 4.521034620890091e-06 | 8.795787200175275e-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 |
| intel-2022b | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| intel-2022a | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| cmake_foss_2022a_full_serial | -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 |
| 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_full_mpi | -1.207818042524234e-03 | 3.702585701988387e-06 | 7.203474128382076e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.206939599815673e-03 | 4.581028410548466e-06 | 8.912506635308299e-01 | PASS |
| intel-2022a_impi | -1.207069534448948e-03 | 4.451093777273424e-06 | 8.659715519987207e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |
| foss-2022a_mpi_omp | -1.207070013768463e-03 | 4.450614457758790e-06 | 8.658782991748618e-01 | PASS |
| eb_foss-2022a | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.206845279751304e-03 | 4.675348474918401e-06 | 9.096008706066928e-01 | PASS |
| eb_foss-2022a_debug | -1.207457089900721e-03 | 4.063538325501043e-06 | 7.905716586577904e-01 | PASS |
| intel-2022a_omp_impi | -1.208586324350711e-03 | 2.934303875511352e-06 | 5.708762403718584e-01 | PASS |
| eb_foss-2022a_mpi | -1.207128756331957e-03 | 4.391871894264760e-06 | 8.544497848764124e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.206999452701654e-03 | 4.521175524567706e-06 | 8.796061331843785e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.207621819657778e-03 | 3.898808568443763e-06 | 7.585230677906153e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207009655744093e-03 | 4.510972482129000e-06 | 8.776211054725681e-01 | PASS |