Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
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 | -2.020314185926940e+00 | 1.586039098389024e-06 | -2.020315170040013e+00 | 1.951144168899077e-06 | PASS |
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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-2023a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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 |
| spack_foss-2023b_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 |
| 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 |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313305971748e+00 | 1.840867866143014e-06 | 3.581454992496137e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313436975377e+00 | 1.709864236865144e-06 | 3.326584118414677e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313255754377e+00 | 1.891085236849221e-06 | 3.679154157294205e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313281251677e+00 | 1.865587937466273e-06 | 3.629548516471349e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313268644067e+00 | 1.878195547089234e-06 | 3.654076939862324e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313456338151e+00 | 1.690501463702532e-06 | 3.288913353506871e-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 |
| cmake_foss_2022a_min_mpi | -2.020314465916376e+00 | 6.809232386828512e-07 | 1.324753382651462e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313282651976e+00 | 1.864187638034309e-06 | 3.626824198510329e-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-2022a_impi_omp | -2.020313323164774e+00 | 1.823674840473188e-06 | 3.548005526212429e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.020313285916060e+00 | 1.860923553920202e-06 | 3.620473840311677e-01 | PASS |
| spack_intel-2023a_impi | -2.020313260610175e+00 | 1.886229439751475e-06 | 3.669707081228550e-01 | PASS |