Match comparison for Multipoles [step 0] (match type 12077)
Commits >
Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.209461732140343e-03 | 4.003118549146589e-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_serial_min | -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 | -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-2023a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2023b_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_ppc | -1.207161061433260e-03 | 4.359566792962394e-06 | 8.481647457125281e-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_serial_omp | -1.206973290279592e-03 | 4.547337946629810e-06 | 8.846960985661109e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.207001261533822e-03 | 4.519366692400323e-06 | 8.792542203113469e-01 | PASS |
| spack_foss-2022a_mpi | -1.207042113137394e-03 | 4.478515088828178e-06 | 8.713064375152098e-01 | PASS |
| spack_foss-2023a_mpi | -1.207177529443715e-03 | 4.343098782507099e-06 | 8.449608526278403e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.207018557283071e-03 | 4.502070943150855e-06 | 8.758892885507500e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.207069167588629e-03 | 4.451460637593324e-06 | 8.660429256018141e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.207018395392959e-03 | 4.502232833263281e-06 | 8.759207846815723e-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-2022a_impi_omp | -1.207167036204881e-03 | 4.353592021340497e-06 | 8.470023387821979e-01 | PASS |
| spack_intel-2023a_impi | -1.207112669135868e-03 | 4.407959090353903e-06 | 8.575795895630161e-01 | PASS |