Match comparison for Energy [step 83] (match type 29267)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | 3.480000000000000e-13 | -1.351350309405782e+01 | 1.402153619960442e-13 | -1.351350309405788e+01 | 2.255973186038318e-13 | PASS |
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Detailed information
Reference: -13.51350309405791, precision: 0.000000000000348| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.351350309405810e+01 | -1.865174681370263e-13 | -5.359697360259377e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351350309405779e+01 | 1.190159082398168e-13 | 3.419997363213126e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 7.401486830834377e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.351350309405773e+01 | 1.811883976188255e-13 | 5.206563149966251e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 7.401486830834377e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.134623677914376e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 7.401486830834377e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.134623677914376e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.134623677914376e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351350309405810e+01 | -1.936228954946273e-13 | -5.563876307316876e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.351350309405776e+01 | 1.474376176702208e-13 | 4.236713151443126e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -1.351350309405765e+01 | 2.575717417130363e-13 | 7.401486830834377e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351350309405779e+01 | 1.172395514004165e-13 | 3.368952626448751e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351350309405779e+01 | 1.172395514004165e-13 | 3.368952626448751e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351350309405810e+01 | -1.936228954946273e-13 | -5.563876307316876e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.351350309405791e+01 | 3.552713678800501e-15 | 1.020894735287500e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.351350309405777e+01 | 1.438849039914203e-13 | 4.134623677914376e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.351350309405769e+01 | 2.167155344068306e-13 | 6.227457885253752e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351350309405806e+01 | -1.456612608308205e-13 | -4.185668414678752e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.351350309405772e+01 | 1.936228954946273e-13 | 5.563876307316876e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.351350309405802e+01 | -1.065814103640150e-13 | -3.062684205862501e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351350309405800e+01 | -8.881784197001252e-14 | -2.552236838218751e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351350309405804e+01 | -1.278976924368180e-13 | -3.675221047035001e-01 | PASS |