Match comparison for Hartree energy (match type 1018)
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Input 28-carbon_big_box.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.067941250000000e+00 | 1.000000000000000e-04 | 1.067933980000000e+00 | 0.000000000000000e+00 | 1.067933980000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 1.06794125, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| intel-serial: [intel2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| valgrind: [foss2023a-serial] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.067933980000000e+00 | -7.270000000003662e-06 | -7.270000000003662e-02 | PASS |