Match comparison for Initial energy (match type 26078)
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
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 | -3.744576714000001e+01 | 7.105427357601002e-15 | -3.744576714000000e+01 | 0.000000000000000e+00 | PASS |
Checks for this match
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Detailed information
Reference: -37.44576068, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744576714000000e+01 | -6.460000001595745e-06 | -6.460000001595745e-02 | PASS |