Match comparison for Total Energy (match type 18212)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
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 | -9.937196490714815e+02 | 1.546258158907629e-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 |
| spack_foss-2022a_mpi | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2022a_serial_min | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_serial_opt | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_serial_min | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023b_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2022a_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2022a_mpi_min | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2022a_ppc | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_mpi_min | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_serial_omp | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_mpi | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_serial_debug | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_mpi_debug | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_mpi_omp | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| cmake_foss_2022a_full_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| cmake_foss_2022a_min_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_intel-2023a_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_intel-2022a_impi_omp | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_intel-2022a_serial_omp | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_intel-2023a_serial_omp | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_intel-2023a_impi | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_mpi_opt | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |
| spack_foss-2022a_cuda_serial | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |