Match comparison for Energy [step 1] (match type 14080)
Commits >
Commit abc749737cc12a5b79d975879ed425be2e62065f >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.791009280177380e+01 | 1.900000000000000e-12 | -3.791009280177384e+01 | 7.609899554066408e-14 | -3.791009280177386e+01 | 1.421085471520200e-13 | PASS |
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Detailed information
Reference: -37.9100928017738, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2022a_serial_opt | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2022a_serial_min | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2022a_serial | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| foss-2022a_opt | -3.791009280177380e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -3.791009280177400e+01 | -1.989519660128281e-13 | -1.047115610593832e-01 | PASS |
| intel-2022a | -3.791009280177400e+01 | -1.989519660128281e-13 | -1.047115610593832e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.791009280177394e+01 | -1.421085471520200e-13 | -7.479397218527370e-02 | PASS |
| spack_foss-2022a_serial_omp | -3.791009280177389e+01 | -9.237055564881302e-14 | -4.861608192042791e-02 | PASS |
| eb_fosscuda-2022a | -3.791009280177377e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| foss-2022a_omp | -3.791009280177389e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| foss-2022a_ppc | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2022a_serial_debug | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| intel-2022a_omp | -3.791009280177381e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |
| intel-2022b_impi | -3.791009280177374e+01 | 5.684341886080801e-14 | 2.991758887410948e-02 | PASS |
| intel-2022a_impi | -3.791009280177374e+01 | 5.684341886080801e-14 | 2.991758887410948e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.791009280177392e+01 | -1.207922650792170e-13 | -6.357487635748264e-02 | PASS |
| foss-2022a_mpi_omp | -3.791009280177389e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.791009280177387e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| eb_foss-2022a | -3.791009280177380e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| intel-2022a_omp_impi | -3.791009280177371e+01 | 8.526512829121202e-14 | 4.487638331116423e-02 | PASS |
| eb_foss-2022a_mpi | -3.791009280177391e+01 | -1.065814103640150e-13 | -5.609547913895528e-02 | PASS |
| eb_foss-2022a_debug | -3.791009280177380e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.791009280177392e+01 | -1.207922650792170e-13 | -6.357487635748264e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.791009280177391e+01 | -1.065814103640150e-13 | -5.609547913895528e-02 | PASS |