Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
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 | -2.020314129879082e+00 | 1.600063845701508e-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 |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| 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-2023a_serial | -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-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313241751997e+00 | 1.905087617437573e-06 | 3.706396142874656e-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 | -2.020313334821271e+00 | 1.812018343372301e-06 | 3.525327516288524e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313230793348e+00 | 1.916046266536853e-06 | 3.727716471861581e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313305676128e+00 | 1.841163486560049e-06 | 3.582030129494259e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313277770637e+00 | 1.869068976922961e-06 | 3.636320966776188e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313293509931e+00 | 1.853329683498828e-06 | 3.605699773344023e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313342050924e+00 | 1.804788690051851e-06 | 3.511262042902433e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313310460894e+00 | 1.836378720199150e-06 | 3.572721245523638e-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 | -2.020313239484733e+00 | 1.907354881147683e-06 | 3.710807161765919e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313247666659e+00 | 1.899172954900052e-06 | 3.694889017315277e-01 | PASS |