Match comparison for Total energy (match type 12964)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Input 03-sodium_chain.03-ground_state_disp.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.021960180000000e+00 | 1.010000000000000e-07 | 2.021960201538462e+00 | 3.608012101013521e-09 | 2.021960205000000e+00 | 4.999999969612645e-09 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2.02196018, precision: 0.000000101| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_serial_min | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2022a_serial | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_serial | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023b_serial | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2022a_ppc | 2.021960210000000e+00 | 2.999999981767587e-08 | 2.970297011651076e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.021960210000000e+00 | 2.999999981767587e-08 | 2.970297011651076e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.021960210000000e+00 | 2.999999981767587e-08 | 2.970297011651076e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2022a_mpi | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_mpi | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.021960210000000e+00 | 2.999999981767587e-08 | 2.970297011651076e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_intel-2023a_serial | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |
| spack_intel-2023a_impi | 2.021960200000000e+00 | 1.999999987845058e-08 | 1.980198007767384e-01 | PASS |