Match comparison for Total Energy (match type 18217)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 07-octopus_basics-time_dependent_propagation.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.188700363200000e+02 | 4.980000000000000e-04 | -2.188704216381482e+02 | 2.369226743224364e-04 | -2.188700363200000e+02 | 4.523300000016661e-04 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -218.87003632, precision: 0.000498| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_ppc | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_mpi | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_serial | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_serial_min | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_mpi | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_serial_min | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_serial | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023b_serial | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_intel-2023a_serial | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_intel-2023a_impi | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.188695839900000e+02 | 4.523300000016661e-04 | 9.082931726941087e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.188695839900000e+02 | 4.523300000016661e-04 | 9.082931726941087e-01 | PASS |