Match comparison for Multipoles [step 0] (match type 12077)
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.208194266228416e-03 | 2.896826961062104e-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 | -1.207524975040467e-03 | 3.995653185755394e-06 | 7.773644330263412e-01 | PASS |
| eb_fosscuda-2022a | -1.206976782573269e-03 | 4.543845652953344e-06 | 8.840166639987050e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207110575805082e-03 | 4.410052421140393e-06 | 8.579868523619442e-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 | -1.207209310755145e-03 | 4.311317471077320e-06 | 8.387777181084279e-01 | PASS |
| foss-2022a_opt | -1.207279040895154e-03 | 4.241587331067992e-06 | 8.252115430093371e-01 | PASS |
| foss-2022a_omp | -1.207124443779295e-03 | 4.396184446926960e-06 | 8.552888029040778e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.207321718932328e-03 | 4.198909293894265e-06 | 8.169084229366276e-01 | PASS |
| intel-2022a | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.206920315286311e-03 | 4.600312939910750e-06 | 8.950025174923639e-01 | PASS |
| intel-2022b | -1.207506651185838e-03 | 4.013977040383471e-06 | 7.809293852886131e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.207032459117865e-03 | 4.488169108356416e-06 | 8.731846514312094e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| intel-2022a_omp | -1.207259653582329e-03 | 4.260974643892574e-06 | 8.289833937534190e-01 | PASS |
| intel-2022a_impi | -1.206979715583270e-03 | 4.540912642951806e-06 | 8.834460394847872e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| foss-2022a_mpi_omp | -1.207040389587202e-03 | 4.480238639019635e-06 | 8.716417585641314e-01 | PASS |
| intel-2022b_impi | -1.206974920145945e-03 | 4.545708080276817e-06 | 8.843790039449061e-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 | -1.207015035724193e-03 | 4.505592502028694e-06 | 8.765744167371000e-01 | PASS |