Match comparison for Total Energy (match type 11367)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 01-octopus_basics-getting_started.03-H_atom_independent.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.008908100000000e-01 | 1.000000000000000e-04 | -5.009143500000000e-01 | 0.000000000000000e+00 | -5.009143500000000e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
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Detailed information
Reference: -0.50089081, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_serial_min | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_mpi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_serial_min | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_serial_opt | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023a_serial_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_foss-2023b_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_intel-2023a_serial | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_intel-2023a_impi | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_intel-2023a_serial_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |
| spack_intel-2022a_impi_omp | -5.009143500000000e-01 | -2.353999999993306e-05 | -2.353999999993306e-01 | PASS |