Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020315146839614e+00 | 5.140000000000000e-06 | -2.020314150868780e+00 | 1.591921861917220e-06 | -2.020315170040013e+00 | 1.951144168899077e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -2.0203151468396143, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313277022035e+00 | 1.869817578992183e-06 | 3.637777391035376e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313226578133e+00 | 1.920261480936603e-06 | 3.735917278086776e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313248778477e+00 | 1.898061137151075e-06 | 3.692725947764737e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313243732300e+00 | 1.903107313960817e-06 | 3.702543412375130e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313405009432e+00 | 1.741830182755422e-06 | 3.388774674621443e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313236507617e+00 | 1.910331997478920e-06 | 3.716599216885059e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313509152396e+00 | 1.637687218281059e-06 | 3.186161903270542e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313261467526e+00 | 1.885372088672455e-06 | 3.668039083020340e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023b_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-01 | PASS |
| spack_intel-2023a_serial | -2.020313528549583e+00 | 1.618290030869218e-06 | 3.148424184570464e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.020313249433580e+00 | 1.897406034068183e-06 | 3.691451428148216e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.020313285916060e+00 | 1.860923553920202e-06 | 3.620473840311677e-01 | PASS |
| spack_intel-2023a_impi | -2.020313740146578e+00 | 1.406693036276607e-06 | 2.736756879915578e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313242313858e+00 | 1.904525756657449e-06 | 3.705303028516438e-01 | PASS |