Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
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 | -2.020314129659642e+00 | 1.602179803810550e-06 | -2.020315143863877e+00 | 1.977320304824559e-06 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -2.0203151468396143, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313220812291e+00 | 1.926027322962653e-06 | 3.747134869577147e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313230515899e+00 | 1.916323715711599e-06 | 3.728256256248246e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313262428616e+00 | 1.884410997909924e-06 | 3.666169256634094e-01 | PASS |
| spack_foss-2022a_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-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313222995662e+00 | 1.923843952145177e-06 | 3.742887066430305e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313224889650e+00 | 1.921949964511782e-06 | 3.739202265587125e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313230460862e+00 | 1.916378752575554e-06 | 3.728363331859054e-01 | PASS |
| spack_foss-2023a_serial | -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_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313376131030e+00 | 1.770708584203362e-06 | 3.444958335025997e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-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_foss-2023a_mpi_omp | -2.020313166543573e+00 | 1.980296041814711e-06 | 3.852716034658971e-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 | -2.020313663799224e+00 | 1.483040390048984e-06 | 2.885292587643938e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313219484841e+00 | 1.927354773556544e-06 | 3.749717458281215e-01 | PASS |