Match comparison for Total Energy (match type 17933)
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Input 03-octopus_basics-total_energy_convergence.02-methane.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.190375104300000e+02 | 1.100000000000000e-07 | -2.190375104300000e+02 | 0.000000000000000e+00 | -2.190375104300000e+02 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -219.03751043, precision: 0.00000011| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -2.190375104300000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |