Match comparison for Multipoles [step 0] (match type 12073)
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
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 | -1.209257097384249e-03 | 3.801249970261274e-06 | -1.211573943639528e-03 | 4.622033061611741e-06 | PASS |
Checks do not indicate problems with this match.
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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 |
| spack_foss-2023a_mpi | -1.207362825261404e-03 | 4.157802964817542e-06 | 8.089110826493273e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.211430679965639e-03 | 8.994826058311180e-08 | 1.749966159204510e-02 | PASS |
| cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.206982450228017e-03 | 4.538177998205046e-06 | 8.829140074328883e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.207180479132014e-03 | 4.340149094207929e-06 | 8.443869833089357e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_mpi | -1.207091416240647e-03 | 4.429211985575382e-06 | 8.617143940808137e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.206990821715034e-03 | 4.529806511187557e-06 | 8.812853134606141e-01 | PASS |
| spack_foss-2023a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.207025939647596e-03 | 4.494688578625611e-06 | 8.744530308610139e-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-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.206983761328134e-03 | 4.536866898087683e-06 | 8.826589295890434e-01 | PASS |
| spack_foss-2023b_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_intel-2023a_serial | -1.207662999873849e-03 | 3.857628352373294e-06 | 7.505113526018081e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.207023383647005e-03 | 4.497244579217347e-06 | 8.749503072407290e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.207108607710075e-03 | 4.412020516146803e-06 | 8.583697502231135e-01 | PASS |
| spack_intel-2023a_impi | -1.207002940233140e-03 | 4.517687993081882e-06 | 8.789276251132065e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.206973384959703e-03 | 4.547243266518836e-06 | 8.846776783110576e-01 | PASS |