Match comparison for Total Energy (match type 17891)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
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 | -2.622410769644445e+02 | 4.680182649923634e-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-2022a_mpi | -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-2023a_serial_opt | -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-2023a_serial_min | -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_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-2022a_ppc | -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 | -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 |
| spack_foss-2023a_mpi_debug | -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 |
| 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-2023a_serial | -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-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 |
| spack_foss-2023a_mpi_opt | -2.622412093400000e+02 | -8.935399999927540e-04 | -9.089928789346430e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.622394222700000e+02 | 8.935300000416646e-04 | 9.089827060444198e-01 | PASS |