Match comparison for Energy [step 103] (match type 29268)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
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 | -1.351351009473373e+01 | 1.853767733019835e-13 | -1.351351009473376e+01 | 3.250733016102458e-13 | PASS |
Checks for this match
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Detailed information
Reference: -13.5135100947337, precision: 0.00000000000045| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -1.351351009473375e+01 | -4.618527782440651e-14 | -1.026339507209034e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.351351009473360e+01 | 1.030286966852145e-13 | 2.289526593004767e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351351009473358e+01 | 1.225686219186173e-13 | 2.723747153747051e-01 | PASS |
| eb_fosscuda-2022a | -1.351351009473380e+01 | -9.592326932761353e-14 | -2.131628207280301e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.351351009473343e+01 | 2.664535259100376e-13 | 5.921189464667501e-01 | PASS |
| eb_foss-2022a_debug | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.351351009473401e+01 | -3.144151605738443e-13 | -6.987003568307651e-01 | PASS |
| eb_intel-2022a | -1.351351009473387e+01 | -1.687538997430238e-13 | -3.750086660956085e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.351351009473398e+01 | -2.842170943040401e-13 | -6.315935428978668e-01 | PASS |
| intel-2022b | -1.351351009473387e+01 | -1.687538997430238e-13 | -3.750086660956085e-01 | PASS |
| eb_intel-2022a_omp | -1.351351009473387e+01 | -1.652011860642233e-13 | -3.671137468093851e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.351351009473349e+01 | 2.078337502098293e-13 | 4.618527782440651e-01 | PASS |
| eb_intel-2022a_impi | -1.351351009473396e+01 | -2.593480985524366e-13 | -5.763291078943035e-01 | PASS |
| spack_foss-2022a_serial | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2022a_mpi | -1.351351009473358e+01 | 1.207922650792170e-13 | 2.684272557315934e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351351009473391e+01 | -2.131628207280301e-13 | -4.736951571734001e-01 | PASS |
| spack_foss-2022a_serial_min | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| intel-2022b_impi | -1.351351009473396e+01 | -2.593480985524366e-13 | -5.763291078943035e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.351351009473349e+01 | 2.096101070492296e-13 | 4.658002378871768e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.351351009473362e+01 | 7.993605777301127e-14 | 1.776356839400250e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.351351009473352e+01 | 1.794120407794253e-13 | 3.986934239542784e-01 | PASS |
| eb_intel-2022a_omp_impi | -1.351351009473408e+01 | -3.836930773104541e-13 | -8.526512829121202e-01 | PASS |
| eb_foss-2022a_valgrind | -1.351351009473381e+01 | -1.101341240428155e-13 | -2.447424978729234e-01 | PASS |