Match comparison for Energy [step 83] (match type 29267)

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > 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 1.347491155810941e-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
spack_intel-2023a_impi -1.351350309405804e+01 -1.278976924368180e-13 -4.263256414560601e-01 PASS
spack_foss-2022a_ppc -1.351350309405791e+01 3.552713678800501e-15 1.184237892933500e-02 PASS
cmake_foss_2022a_full_serial -1.351350309405779e+01 1.190159082398168e-13 3.967196941327226e-01 PASS
cmake_foss_2022a_full_mpi -1.351350309405779e+01 1.172395514004165e-13 3.907985046680551e-01 PASS
cmake_foss_2022a_min_serial -1.351350309405776e+01 1.474376176702208e-13 4.914587255674027e-01 PASS
cmake_foss_2022a_min_mpi -1.351350309405765e+01 2.575717417130363e-13 8.585724723767878e-01 PASS
spack_foss-2022a_mpi -1.351350309405777e+01 1.438849039914203e-13 4.796163466380676e-01 PASS
spack_foss-2022a_mpi_min -1.351350309405777e+01 1.438849039914203e-13 4.796163466380676e-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_cuda_mpi_omp -1.351350309405797e+01 -5.684341886080801e-14 -1.894780628693601e-01 PASS
spack_foss-2023a_mpi_min -1.351350309405777e+01 1.438849039914203e-13 4.796163466380676e-01 PASS
spack_foss-2023a_serial -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_intel-2023a_serial_omp -1.351350309405810e+01 -1.936228954946273e-13 -6.454096516487577e-01 PASS
spack_foss-2023a_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_opt -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_foss-2023a_mpi_debug -1.351350309405777e+01 1.438849039914203e-13 4.796163466380676e-01 PASS
spack_foss-2023b_serial -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
spack_intel-2022a_serial_omp -1.351350309405810e+01 -1.936228954946273e-13 -6.454096516487577e-01 PASS
spack_intel-2023a_serial -1.351350309405810e+01 -1.865174681370263e-13 -6.217248937900877e-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
spack_foss-2022a_cuda_serial -1.351350309405794e+01 -2.664535259100376e-14 -8.881784197001252e-02 PASS