Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
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 | -2.020314123102845e+00 | 1.603859447758767e-06 | -2.020315169804435e+00 | 1.951379747122672e-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_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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-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 |
| cmake_foss_2022a_full_mpi | -2.020313285465983e+00 | 1.861373631673047e-06 | 3.621349477963126e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313313025710e+00 | 1.833813903839854e-06 | 3.567731330427731e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313218424688e+00 | 1.928414926410937e-06 | 3.751780012472641e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313221549531e+00 | 1.925290082915865e-06 | 3.745700550419970e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313398494782e+00 | 1.748344832463999e-06 | 3.401449090396886e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313225249650e+00 | 1.921589964481996e-06 | 3.738501876424116e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313219604426e+00 | 1.927235188770027e-06 | 3.749484803054527e-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 | -2.020313237887222e+00 | 1.908952392160046e-06 | 3.713915159844448e-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 | -2.020313227031802e+00 | 1.919807812278407e-06 | 3.735034654238146e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313294294313e+00 | 1.852545301161967e-06 | 3.604173737669197e-01 | PASS |