Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
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 | -2.020314166809135e+00 | 1.593271985935850e-06 | -2.020315170040013e+00 | 1.951144168899077e-06 | PASS |
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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-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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 |
| cmake_foss_2022a_min_mpi | -2.020313310776838e+00 | 1.836062776039427e-06 | 3.572106568170091e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313291499846e+00 | 1.855339768486175e-06 | 3.609610444525632e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313301295869e+00 | 1.845543745382372e-06 | 3.590552033817844e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313224683138e+00 | 1.922156476652503e-06 | 3.739604040179968e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313288917730e+00 | 1.857921883896552e-06 | 3.614634015362941e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313258781594e+00 | 1.888058020149685e-06 | 3.673264630641411e-01 | PASS |
| spack_foss-2023a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313226917712e+00 | 1.919921902349131e-06 | 3.735256619356286e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313236004089e+00 | 1.910835525364973e-06 | 3.717578843122517e-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-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-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 | -2.020314351851366e+00 | 7.949882481206316e-07 | 1.546669743425353e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313330369772e+00 | 1.816469842541579e-06 | 3.533988020508909e-01 | PASS |