Match comparison for Total Energy (match type 18212)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Input 04-octopus_basics-visualization.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.936945015700001e+02 | 3.250000000000000e-02 | -9.937200864193333e+02 | 1.472765238422705e-02 | -9.936945015700001e+02 | 2.952097999997250e-02 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -993.69450157, precision: 0.0325| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |