Match comparison for Energy [step 83] (match type 29267)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351350309405791e+01 | 3.000000000000000e-13 | -1.351350309405784e+01 | 1.324003083342001e-13 | -1.351350309405788e+01 | 2.255973186038318e-13 | PASS |
Checks for this match
-
Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -13.51350309405791, precision: 0.0000000000003| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2022a_serial | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2023a_serial | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2022a_ppc | -1.351350309405791e+01 | 3.552713678800501e-15 | 1.184237892933500e-02 | PASS |
| spack_foss-2022a_cuda_serial | -1.351350309405789e+01 | 1.598721155460225e-14 | 5.329070518200751e-02 | PASS |
| spack_foss-2022a_mpi_min | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351350309405779e+01 | 1.172395514004165e-13 | 3.907985046680551e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.351350309405779e+01 | 1.190159082398168e-13 | 3.967196941327226e-01 | PASS |
| spack_foss-2022a_mpi | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2023a_mpi | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.351350309405765e+01 | 2.575717417130363e-13 | 8.585724723767878e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351350309405791e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.351350309405769e+01 | 2.167155344068306e-13 | 7.223851146894352e-01 | PASS |
| spack_foss-2023a_serial_min | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2023b_serial | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.351350309405773e+01 | 1.811883976188255e-13 | 6.039613253960852e-01 | PASS |
| spack_intel-2023a_serial | -1.351350309405810e+01 | -1.865174681370263e-13 | -6.217248937900877e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.351350309405810e+01 | -1.936228954946273e-13 | -6.454096516487577e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.351350309405810e+01 | -1.936228954946273e-13 | -6.454096516487577e-01 | PASS |
| spack_intel-2023a_impi | -1.351350309405804e+01 | -1.278976924368180e-13 | -4.263256414560601e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.351350309405806e+01 | -1.456612608308205e-13 | -4.855375361027351e-01 | PASS |
| spack_foss-2023a_valgrind | -1.351350309405802e+01 | -1.136868377216160e-13 | -3.789561257387201e-01 | PASS |