Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
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 | -2.020314127525610e+00 | 1.601341217909212e-06 | -2.020315164465499e+00 | 1.956718683526759e-06 | PASS |
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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-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-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_mpi_opt | -2.020313251301426e+00 | 1.895538188634305e-06 | 3.687817487615379e-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 |
| cmake_foss_2022a_full_mpi | -2.020313330095042e+00 | 1.816744572558093e-06 | 3.534522514704462e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313207746815e+00 | 1.939092799219111e-06 | 3.772554084083873e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313360323971e+00 | 1.786515642976383e-06 | 3.475711367658332e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313240124239e+00 | 1.906715375810109e-06 | 3.709562987957410e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313274781493e+00 | 1.872058121410447e-06 | 3.642136422977523e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313293793896e+00 | 1.853045718203106e-06 | 3.605147311679194e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-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 | -2.020313279881671e+00 | 1.866957942908698e-06 | 3.632213896709529e-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 | -2.020313272039455e+00 | 1.874800159562540e-06 | 3.647471127553579e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313250354758e+00 | 1.896484856267477e-06 | 3.689659253438672e-01 | PASS |