Match comparison for Total current (x=-0.38, y= 0,z=0) [step 20] (match type 23481)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.833499753902589e-05 | 2.000000000000000e-10 | 9.833499753901807e-05 | 3.561172433544281e-17 | 9.833499753899860e-05 | 6.300569874856388e-17 | PASS |
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Detailed information
Reference: 0.0000983349975390259, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2022a_serial_min | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| foss-2022a_ppc | 9.833499753901399e-05 | -1.189911884302841e-17 | -5.949559421514206e-08 | PASS |
| spack_foss-2022a_serial_opt | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2022a_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| foss-2022a_opt | 9.833499753905990e-05 | 3.400329063457663e-17 | 1.700164531728832e-07 | PASS |
| intel-2022b | 9.833499753895740e-05 | -6.849447224677174e-17 | -3.424723612338587e-07 | PASS |
| intel-2022a | 9.833499753895740e-05 | -6.849447224677174e-17 | -3.424723612338587e-07 | PASS |
| spack_foss-2022a_serial_omp | 9.833499753906049e-05 | 3.459960182944366e-17 | 1.729980091472183e-07 | PASS |
| cmake_foss_2022a_full_mpi | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2022a_serial_debug | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| foss-2022a_omp | 9.833499753899260e-05 | -3.329855922246105e-17 | -1.664927961123053e-07 | PASS |
| intel-2022a_omp | 9.833499753906090e-05 | 3.500617764412572e-17 | 1.750308882206286e-07 | PASS |
| intel-2022b_impi | 9.833499753904330e-05 | 1.740144486839235e-17 | 8.700722434196173e-08 | PASS |
| intel-2022a_impi | 9.833499753904330e-05 | 1.740144486839235e-17 | 8.700722434196173e-08 | PASS |
| eb_fosscuda-2022a_mpi_omp | 9.833499753899590e-05 | -2.999174259638027e-17 | -1.499587129819013e-07 | PASS |
| eb_fosscuda-2022a | 9.833499753900150e-05 | -2.439454888092385e-17 | -1.219727444046192e-07 | PASS |
| cmake_foss_2022a_min_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| foss-2022a_mpi_omp | 9.833499753893559e-05 | -9.030048844088645e-17 | -4.515024422044323e-07 | PASS |
| cmake_foss_2022a_min_mpi | 9.833499753905490e-05 | 2.900240811398724e-17 | 1.450120405699362e-07 | PASS |
| eb_foss-2022a | 9.833499753905990e-05 | 3.400329063457663e-17 | 1.700164531728832e-07 | PASS |
| eb_foss-2022b_libxc6 | 9.833499753896390e-05 | -6.198925921185872e-17 | -3.099462960592936e-07 | PASS |
| eb_foss-2022a_debug | 9.833499753905990e-05 | 3.400329063457663e-17 | 1.700164531728832e-07 | PASS |
| intel-2022a_omp_impi | 9.833499753901200e-05 | -1.389134033497053e-17 | -6.945670167485263e-08 | PASS |
| eb_foss-2022a_mpi | 9.833499753906160e-05 | 3.571090905624130e-17 | 1.785545452812065e-07 | PASS |
| eb_foss-2022b_libxc6_mpi | 9.833499753900880e-05 | -1.708973674380276e-17 | -8.544868371901382e-08 | PASS |
| eb_foss-2022a_mpi_debug | 9.833499753906160e-05 | 3.571090905624130e-17 | 1.785545452812065e-07 | PASS |