Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.209143759173338e-03 | 3.777832862845482e-06 | -1.211573943639528e-03 | 4.622033061611741e-06 | PASS |
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Detailed information
Reference: -0.001211520628226222, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -1.207161061433260e-03 | 4.359566792962394e-06 | 8.481647457125281e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.207012802935947e-03 | 4.507825290274653e-06 | 8.770088113374812e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.208193213959763e-03 | 3.327414266459045e-06 | 6.473568611788025e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2022a_mpi | -1.207109802947290e-03 | 4.410825278932046e-06 | 8.581372138000090e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi | -1.207222441025238e-03 | 4.298187200983900e-06 | 8.362231908528989e-01 | PASS |
| spack_foss-2023a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.206991111726827e-03 | 4.529516499395198e-06 | 8.812288909329179e-01 | PASS |
| spack_foss-2023a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.207197216493178e-03 | 4.323411733044230e-06 | 8.411306873626908e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.206973290279592e-03 | 4.547337946629810e-06 | 8.846960985661109e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.207134438400745e-03 | 4.386189825477055e-06 | 8.533443240227734e-01 | PASS |
| spack_foss-2023b_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.207023383647005e-03 | 4.497244579217347e-06 | 8.749503072407290e-01 | PASS |
| spack_intel-2023a_serial | -1.207662999873849e-03 | 3.857628352373294e-06 | 7.505113526018081e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.207108607710075e-03 | 4.412020516146803e-06 | 8.583697502231135e-01 | PASS |
| spack_intel-2023a_impi | -1.207047530646807e-03 | 4.473097579414881e-06 | 8.702524473569808e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.207023434437224e-03 | 4.497193788998094e-06 | 8.749404258751157e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.207032574443725e-03 | 4.488053782496443e-06 | 8.731622144934714e-01 | PASS |