Match comparison for Exchange energy (match type 1020)
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Input 28-carbon_big_box.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.067869100000000e-01 | 1.000000000000000e-04 | -3.067813600000000e-01 | 0.000000000000000e+00 | -3.067813600000000e-01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -0.30678691, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.067813600000000e-01 | 5.550000000020816e-06 | 5.550000000020816e-02 | PASS |