Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
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 | -2.020314165455527e+00 | 1.588644329763205e-06 | -2.020315166350367e+00 | 1.954833815265289e-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 |
| spack_foss-2023a_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_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-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 |
| cmake_foss_2022a_full_mpi | -2.020313223921843e+00 | 1.922917771235433e-06 | 3.741085158045589e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020314085766475e+00 | 1.061073139574376e-06 | 2.064344629522132e-01 | PASS |
| spack_foss-2023a_serial_debug | -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 |
| spack_foss-2022a_mpi | -2.020313315079537e+00 | 1.831760076953515e-06 | 3.563735558275321e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313289687174e+00 | 1.857152439832532e-06 | 3.613137042475744e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313259101500e+00 | 1.887738114270121e-06 | 3.672642245661714e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313469095374e+00 | 1.677744239980683e-06 | 3.264093852102496e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313342323350e+00 | 1.804516264414247e-06 | 3.510732031934332e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313298845547e+00 | 1.847994067105674e-06 | 3.595319196703646e-01 | PASS |
| spack_foss-2023a_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-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 | -2.020313289213182e+00 | 1.857626432233417e-06 | 3.614059206679799e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313211516552e+00 | 1.935323062696170e-06 | 3.765219966334962e-01 | PASS |