Match comparison for Total Energy (match type 18217)
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Input 07-octopus_basics-time_dependent_propagation.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.188701932000000e+02 | 5.080000000000000e-04 | -2.188705863644444e+02 | 2.417440950033702e-04 | -2.188701932050000e+02 | 4.615349999994578e-04 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -218.87019320000002, precision: 0.000508| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_opt | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_serial | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023b_serial | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_intel-2023a_serial | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_ppc | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.188697316700000e+02 | 4.615300000239131e-04 | 9.085236220943171e-01 | PASS |
| spack_intel-2023a_impi | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.188697316700000e+02 | 4.615300000239131e-04 | 9.085236220943171e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_serial_min | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_serial | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2022a_mpi | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_mpi | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_serial_min | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.188706547400000e+02 | -4.615399999750025e-04 | -9.085433070374065e-01 | PASS |