Match comparison for Energy [step 83] (match type 29267)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
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 | -1.351350309405783e+01 | 1.393346640772736e-13 | -1.351350309405788e+01 | 2.255973186038318e-13 | PASS |
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Detailed information
Reference: -13.51350309405791, precision: 0.0000000000003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.351350309405779e+01 | 1.190159082398168e-13 | 3.967196941327226e-01 | PASS |
| 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-2022a_ppc | -1.351350309405791e+01 | 3.552713678800501e-15 | 1.184237892933500e-02 | PASS |
| spack_foss-2022a_mpi_min | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.351350309405800e+01 | -8.704148513061227e-14 | -2.901382837687076e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351350309405779e+01 | 1.172395514004165e-13 | 3.907985046680551e-01 | PASS |
| spack_foss-2022a_mpi | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-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 |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -1.351350309405779e+01 | 1.190159082398168e-13 | 3.967196941327226e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -1.351350309405810e+01 | -1.865174681370263e-13 | -6.217248937900877e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -1.351350309405773e+01 | 1.811883976188255e-13 | 6.039613253960852e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -1.351350309405810e+01 | -1.936228954946273e-13 | -6.454096516487577e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -1.351350309405810e+01 | -1.936228954946273e-13 | -6.454096516487577e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -1.351350309405804e+01 | -1.278976924368180e-13 | -4.263256414560601e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -1.351350309405791e+01 | 3.552713678800501e-15 | 1.184237892933500e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.914587255674027e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-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 |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 8.585724723767878e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 8.585724723767878e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -1.351350309405769e+01 | 2.167155344068306e-13 | 7.223851146894352e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.796163466380676e-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 |
| 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-2023a_mpi_omp | -1.351350309405769e+01 | 2.167155344068306e-13 | 7.223851146894352e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351350309405806e+01 | -1.456612608308205e-13 | -4.855375361027351e-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-2022a_cuda_mpi_omp | -1.351350309405795e+01 | -4.440892098500626e-14 | -1.480297366166876e-01 | PASS |
| spack_foss-2023a_valgrind | -1.351350309405802e+01 | -1.136868377216160e-13 | -3.789561257387201e-01 | PASS |
| GCI_foss_valgrind_autotools: [foss2023a-serial] | -1.351350309405772e+01 | 1.936228954946273e-13 | 6.454096516487577e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.351350309405804e+01 | -1.296740492762183e-13 | -4.322468309207276e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 8.585724723767878e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -1.351350309405779e+01 | 1.172395514004165e-13 | 3.907985046680551e-01 | PASS |