Match comparison for Total Energy (match type 18212)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
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 | -9.937207424411109e+02 | 1.352423541240367e-02 | -9.936945015700001e+02 | 2.952097999997250e-02 | PASS |
Checks for this match
- GPU builders have different values.
Loading plot...
Detailed information
Reference: -993.69450157, precision: 0.0325| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -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 |
| spack_foss-2022a_serial | -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-2022a_mpi_min | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -9.936649805900000e+02 | 2.952098000002934e-02 | 9.083378461547489e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2022a_mpi | -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 |
| spack_foss-2023a_mpi | -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 |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -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 |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -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 |
| GCI_foss_min_autotools: [foss2023b-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| spack_foss-2023a_serial | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -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-2023a_serial_debug | -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-2023a_serial_opt | -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 |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -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-2023a_serial_omp | -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_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_intel-2022a_impi_omp | -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 |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -9.937240225500000e+02 | -2.952097999991565e-02 | -9.083378461512508e-01 | PASS |