Match comparison for Total Energy (match type 17891)
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Input 02-octopus_basics-basic_input_options.01-N_atom.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.622403158000000e+02 | 9.829999999999999e-04 | -2.622410976481250e+02 | 4.325807717900120e-04 | -2.622403158050000e+02 | 8.935350000172093e-04 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -262.2403158, precision: 0.000983| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |