Match comparison for Initial energy (match type 22543)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 22-td_move_ions_periodic.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.965691066000000e+01 | 1.480000000000000e-07 | -2.965691066000000e+01 | 0.000000000000000e+00 | -2.965691066000000e+01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -29.65691066, precision: 0.000000148| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023b-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2022a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_autotools: [intel2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.965691066000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |