Match comparison for Total Energy (match type 17891)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
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 | -2.622411100583333e+02 | 4.093487983619147e-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 |
| spack_foss-2023a_serial_min | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_serial | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_serial_min | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_ppc | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_serial | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023b_serial | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_mpi | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_mpi | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_intel-2023a_serial | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_intel-2023a_impi | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |