Match comparison for Multipoles [step 20] (match type 12078)
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020315146839614e+00 | 5.140000000000000e-06 | -2.020314194138213e+00 | 1.575106146444099e-06 | -2.020315165634446e+00 | 1.955549736365469e-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-2023a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_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-2023b_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-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_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 |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313210084709e+00 | 1.936754904896532e-06 | 3.768005651549672e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313933383414e+00 | 1.213456199966600e-06 | 2.360809727561479e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313298834452e+00 | 1.848005162230493e-06 | 3.595340782549597e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313237548665e+00 | 1.909290949342335e-06 | 3.714573831405321e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313309540519e+00 | 1.837299095530653e-06 | 3.574511859009054e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313363607925e+00 | 1.783231689422848e-06 | 3.469322352962740e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313259205619e+00 | 1.887633994890336e-06 | 3.672439678774974e-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 | -2.020313419785078e+00 | 1.727054536715400e-06 | 3.360028281547471e-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 | -2.020313705081780e+00 | 1.441757834008683e-06 | 2.804976330756194e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313821910906e+00 | 1.324928708079653e-06 | 2.577682311439015e-01 | PASS |