Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
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 | -2.020314117928277e+00 | 1.606368382040185e-06 | -2.020315169089368e+00 | 1.952094813795213e-06 | PASS |
Checks do not indicate problems with this match.
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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-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313301922115e+00 | 1.844917499216336e-06 | 3.589333656062911e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313254747531e+00 | 1.892092083455310e-06 | 3.681113002831343e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313237150205e+00 | 1.909689409274051e-06 | 3.715349045280256e-01 | PASS |
| spack_foss-2023a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313236020737e+00 | 1.910818877348675e-06 | 3.717546453985748e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313220544196e+00 | 1.926295418286372e-06 | 3.747656455810063e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313250285324e+00 | 1.896554290503616e-06 | 3.689794339501198e-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_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313239844432e+00 | 1.906995182654470e-06 | 3.710107359249941e-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-2022a_impi_omp | -2.020313245627529e+00 | 1.901212085542170e-06 | 3.698856197552860e-01 | PASS |
| spack_intel-2023a_impi | -2.020313298178169e+00 | 1.848661445702504e-06 | 3.596617598643004e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313216994555e+00 | 1.929845059756019e-06 | 3.754562373066185e-01 | PASS |