Match comparison for Energy [step 103] (match type 29268)
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351351009473370e+01 | 4.500000000000000e-13 | -1.351351009473367e+01 | 1.317544014544997e-13 | -1.351351009473370e+01 | 2.655653474903374e-13 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -13.5135100947337, precision: 0.00000000000045| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -1.351351009473369e+01 | 8.881784197001252e-15 | 1.973729821555834e-02 | PASS |
| spack_foss-2022a_mpi | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351351009473358e+01 | 1.225686219186173e-13 | 2.723747153747051e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.351351009473360e+01 | 1.030286966852145e-13 | 2.289526593004767e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.351351009473343e+01 | 2.664535259100376e-13 | 5.921189464667501e-01 | PASS |
| spack_foss-2022a_serial | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2022a_serial_min | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| spack_foss-2023a_mpi | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| spack_foss-2023a_serial | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2023a_serial_min | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351351009473396e+01 | -2.646771690706373e-13 | -5.881714868236385e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2023b_serial | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.351351009473390e+01 | -2.025046796916286e-13 | -4.500103993147301e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.351351009473351e+01 | 1.936228954946273e-13 | 4.302731010991718e-01 | PASS |
| spack_intel-2023a_serial | -1.351351009473386e+01 | -1.563194018672220e-13 | -3.473764485938268e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.351351009473378e+01 | -8.171241461241152e-14 | -1.815831435831367e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.351351009473378e+01 | -8.171241461241152e-14 | -1.815831435831367e-01 | PASS |
| spack_intel-2023a_impi | -1.351351009473382e+01 | -1.243449787580175e-13 | -2.763221750178168e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.351351009473393e+01 | -2.255973186038318e-13 | -5.013273746751818e-01 | PASS |
| spack_foss-2023a_valgrind | -1.351351009473381e+01 | -1.101341240428155e-13 | -2.447424978729234e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.351351009473357e+01 | 1.332267629550188e-13 | 2.960594732333751e-01 | PASS |