Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
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 | -2.020314193809642e+00 | 1.604904197050493e-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_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313395709535e+00 | 1.751130079608032e-06 | 3.406867859159595e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020315137917107e+00 | 8.922507177544503e-09 | 1.735896338043678e-03 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313231915372e+00 | 1.914924242729654e-06 | 3.725533546166643e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313318289739e+00 | 1.828549875071417e-06 | 3.557490029321823e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313279279363e+00 | 1.867560251334055e-06 | 3.633385702984543e-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 |
| spack_foss-2023a_mpi_opt | -2.020313235352893e+00 | 1.911486720906908e-06 | 3.718845760519275e-01 | PASS |
| spack_foss-2023a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-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-2022a_cuda_mpi_omp | -2.020313250664317e+00 | 1.896175297222413e-06 | 3.689056998487186e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313232420754e+00 | 1.914418860771150e-06 | 3.724550312784338e-01 | PASS |
| spack_foss-2023b_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-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 | -2.020313240719568e+00 | 1.906120046690774e-06 | 3.708404760098781e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313227842987e+00 | 1.918996627825464e-06 | 3.733456474368608e-01 | PASS |