Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
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 | -1.209107036617930e-03 | 3.796212969524217e-06 | -1.211513896531423e-03 | 4.682080169716996e-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_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 |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.206956840411944e-03 | 4.563787814278403e-06 | 8.878964619218683e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.206979546068368e-03 | 4.541082157853921e-06 | 8.834790190377279e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207052771524941e-03 | 4.467856701280632e-06 | 8.692328212608234e-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 |
| spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2022a_mpi | -1.206962175854115e-03 | 4.558452372106997e-06 | 8.868584381531124e-01 | PASS |
| spack_foss-2023a_mpi | -1.206966549116881e-03 | 4.554079109341186e-06 | 8.860076088212425e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.206979455593324e-03 | 4.541172632898044e-06 | 8.834966211863899e-01 | PASS |
| spack_foss-2023a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_min | -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-2023a_mpi_opt | -1.207312682625375e-03 | 4.207945600846969e-06 | 8.186664593087488e-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-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_foss-2023a_mpi_omp | -1.206831816361706e-03 | 4.688811864516024e-06 | 9.122202071042849e-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-2023a_impi | -1.207976840402622e-03 | 3.543787823599926e-06 | 6.894528839688572e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.206954380061437e-03 | 4.566248164785064e-06 | 8.883751293356156e-01 | PASS |