Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit d6f4833c99197407842d58e82c91c418d3d73b88 >
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 | -2.020314156750917e+00 | 1.588561058634347e-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-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-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-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_debug | -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_opt | -2.020313326235706e+00 | 1.820603908520013e-06 | 3.542030950428041e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313719882536e+00 | 1.426957078720648e-06 | 2.776181087005151e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313376226278e+00 | 1.770613336393723e-06 | 3.444773028003352e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313272520614e+00 | 1.874319000005897e-06 | 3.646535019466726e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313222190389e+00 | 1.924649224882558e-06 | 3.744453744907700e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313238814036e+00 | 1.908025577979089e-06 | 3.712112019414570e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313369506671e+00 | 1.777332943042609e-06 | 3.457846192689901e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313520169733e+00 | 1.626669881460430e-06 | 3.164727395837412e-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 | -2.020313265804091e+00 | 1.881035523787489e-06 | 3.659602186356982e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313238175994e+00 | 1.908663620042717e-06 | 3.713353346386608e-01 | PASS |