Match comparison for Benzene Energy [step 20] (match type 25753)
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565218087023e+01 | 3.740000000000000e-12 | -3.744565218087148e+01 | 5.335443373237281e-14 | -3.744565218087151e+01 | 1.563194018672220e-13 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -37.44565218087023, precision: 0.00000000000374| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.744565218087153e+01 | -1.300293206440983e-12 | -3.476719803318137e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| spack_foss-2022a_serial | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| foss-2022a_opt | -3.744565218087151e+01 | -1.271871497010579e-12 | -3.400725927835774e-01 | PASS |
| intel-2022b | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| intel-2022a | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565218087150e+01 | -1.264766069652978e-12 | -3.381727458965183e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565218087153e+01 | -1.300293206440983e-12 | -3.476719803318137e-01 | PASS |
| foss-2022a_omp | -3.744565218087146e+01 | -1.229238932864973e-12 | -3.286735114612228e-01 | PASS |
| eb_fosscuda-2022a | -3.744565218087135e+01 | -1.115552095143357e-12 | -2.982759612682774e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| intel-2022a_omp | -3.744565218087166e+01 | -1.428190898877801e-12 | -3.818692242988774e-01 | PASS |
| intel-2022b_impi | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| intel-2022a_impi | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| foss-2022a_mpi_omp | -3.744565218087143e+01 | -1.200817223434569e-12 | -3.210741239129865e-01 | PASS |
| eb_foss-2022a | -3.744565218087151e+01 | -1.271871497010579e-12 | -3.400725927835774e-01 | PASS |
| spack_foss-2022a_serial_min | -3.744565218087148e+01 | -1.243449787580175e-12 | -3.324732052353410e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.744565218087146e+01 | -1.229238932864973e-12 | -3.286735114612228e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744565218087139e+01 | -1.158184659288963e-12 | -3.096750425906319e-01 | PASS |
| eb_foss-2022a_debug | -3.744565218087151e+01 | -1.271871497010579e-12 | -3.400725927835774e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.744565218087146e+01 | -1.229238932864973e-12 | -3.286735114612228e-01 | PASS |
| intel-2022a_omp_impi | -3.744565218087146e+01 | -1.222133505507372e-12 | -3.267736645741637e-01 | PASS |
| eb_foss-2022a_mpi | -3.744565218087151e+01 | -1.278976924368180e-12 | -3.419724396706365e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744565218087153e+01 | -1.300293206440983e-12 | -3.476719803318137e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.744565218087151e+01 | -1.278976924368180e-12 | -3.419724396706365e-01 | PASS |