Match comparison for H2 Multipole x (match type 15308)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.942030529108270e-01 | 1.970000000000000e-14 | -3.942030529108311e-01 | 1.109727278664014e-15 | -3.942030529108325e-01 | 2.581268532253489e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.394203052910827, precision: 0.0000000000000197| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| spack_foss-2022a_serial_min | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| foss-2022a_ppc | -3.942030529108302e-01 | -3.164135620181696e-15 | -1.606160213290201e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| spack_foss-2022a_serial | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| foss-2022a_opt | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| intel-2022b | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| intel-2022a | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.942030529108303e-01 | -3.275157922644212e-15 | -1.662516712002138e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.942030529108316e-01 | -4.551914400963142e-15 | -2.310616447189412e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| foss-2022a_omp | -3.942030529108301e-01 | -3.053113317719180e-15 | -1.549803714578264e-01 | PASS |
| intel-2022a_omp | -3.942030529108318e-01 | -4.773959005888173e-15 | -2.423329444613286e-01 | PASS |
| intel-2022b_impi | -3.942030529108309e-01 | -3.885780586188048e-15 | -1.972477454917791e-01 | PASS |
| intel-2022a_impi | -3.942030529108309e-01 | -3.885780586188048e-15 | -1.972477454917791e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.942030529108306e-01 | -3.552713678800501e-15 | -1.803407958781980e-01 | PASS |
| eb_fosscuda-2022a | -3.942030529108307e-01 | -3.719247132494274e-15 | -1.887942706849886e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| foss-2022a_mpi_omp | -3.942030529108323e-01 | -5.273559366969494e-15 | -2.676933688817002e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.942030529108317e-01 | -4.662936703425657e-15 | -2.366972945901349e-01 | PASS |
| eb_foss-2022a | -3.942030529108304e-01 | -3.386180225106727e-15 | -1.718873210714075e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.942030529108307e-01 | -3.719247132494274e-15 | -1.887942706849886e-01 | PASS |
| eb_foss-2022a_debug | -3.942030529108304e-01 | -3.386180225106727e-15 | -1.718873210714075e-01 | PASS |
| intel-2022a_omp_impi | -3.942030529108306e-01 | -3.608224830031759e-15 | -1.831586208137949e-01 | PASS |
| eb_foss-2022a_mpi | -3.942030529108317e-01 | -4.662936703425657e-15 | -2.366972945901349e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.942030529108316e-01 | -4.551914400963142e-15 | -2.310616447189412e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.942030529108317e-01 | -4.662936703425657e-15 | -2.366972945901349e-01 | PASS |
| eb_foss-2022a_valgrind | -3.942030529108350e-01 | -7.993605777301127e-15 | -4.057667907259455e-01 | PASS |