Match comparison for Energy [step 15] (match type 14083)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790933797735690e+01 | 1.900000000000000e-12 | -3.790933797735693e+01 | 5.891112382091715e-14 | -3.790933797735694e+01 | 1.172395514004165e-13 | PASS |
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Detailed information
Reference: -37.9093379773569, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.790933797735689e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2022a_serial_min | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_ppc | -3.790933797735683e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.790933797735689e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2022a_serial | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -3.790933797735687e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| intel-2022a | -3.790933797735687e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| spack_foss-2022a_serial_omp | -3.790933797735702e+01 | -1.207922650792170e-13 | -6.357487635748264e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.790933797735698e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -3.790933797735706e+01 | -1.634248292248230e-13 | -8.601306801306476e-02 | PASS |
| intel-2022a_omp | -3.790933797735687e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| intel-2022b_impi | -3.790933797735687e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| intel-2022a_impi | -3.790933797735687e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.790933797735696e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| eb_fosscuda-2022a | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -3.790933797735689e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| foss-2022a_mpi_omp | -3.790933797735700e+01 | -9.947598300641403e-14 | -5.235578052969159e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.790933797735695e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| eb_foss-2022a | -3.790933797735691e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| eb_foss-2022b_libxc6 | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -3.790933797735691e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| intel-2022a_omp_impi | -3.790933797735686e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| eb_foss-2022a_mpi | -3.790933797735700e+01 | -1.065814103640150e-13 | -5.609547913895528e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.790933797735700e+01 | -9.947598300641403e-14 | -5.235578052969159e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.790933797735700e+01 | -1.065814103640150e-13 | -5.609547913895528e-02 | PASS |