Match comparison for Initial energy (match type 26078)
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744576068000000e+01 | 1.000000000000000e-04 | -3.744576068000000e+01 | 0.000000000000000e+00 | -3.744576068000000e+01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -37.44576068, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -3.744576068000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |