Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
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 | -1.209080140699067e-03 | 3.805936163151368e-06 | -1.211572186957853e-03 | 4.623789743286866e-06 | PASS |
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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 |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
| spack_foss-2022a_ppc | -1.207161061433260e-03 | 4.359566792962394e-06 | 8.481647457125281e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_mpi | -1.207143565732982e-03 | 4.377062493239820e-06 | 8.515685784513268e-01 | PASS |
| spack_foss-2023a_mpi | -1.207035612578039e-03 | 4.485015648182872e-06 | 8.725711377787689e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.206994887925222e-03 | 4.525740300999554e-06 | 8.804942219843490e-01 | PASS |
| spack_foss-2023a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.206992269269361e-03 | 4.528358956861151e-06 | 8.810036881052823e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.206956552064001e-03 | 4.564076162221148e-06 | 8.879525607434141e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.207025349007781e-03 | 4.495279218440446e-06 | 8.745679413308260e-01 | PASS |
| spack_foss-2023a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.207001088333506e-03 | 4.519539892715524e-06 | 8.792879168707246e-01 | PASS |
| spack_foss-2023b_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.206973290279592e-03 | 4.547337946629810e-06 | 8.846960985661109e-01 | PASS |
| spack_intel-2023a_serial | -1.207662999873849e-03 | 3.857628352373294e-06 | 7.505113526018081e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.207023383647005e-03 | 4.497244579217347e-06 | 8.749503072407290e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.207108607710075e-03 | 4.412020516146803e-06 | 8.583697502231135e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.207014621730104e-03 | 4.506006496117704e-06 | 8.766549603341837e-01 | PASS |
| spack_intel-2023a_impi | -1.207134524355849e-03 | 4.386103870372910e-06 | 8.533276012398657e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.206948397214566e-03 | 4.572231011655764e-06 | 8.895391073260243e-01 | PASS |