Match comparison for Total energy (match type 12944)
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.021960160000000e+00 | 1.010000000000000e-06 | 2.021960154444444e+00 | 1.498970835150566e-08 | 2.021960155000000e+00 | 3.500000000933312e-08 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: 2.02196016, precision: 0.00000101| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_mpi_min | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | 2.021960170000000e+00 | 9.999999939225290e-09 | 9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial_omp | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial_debug | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.021960190000000e+00 | 3.000000026176508e-08 | 2.970297055620305e-02 | PASS |
| spack_foss-2023a_mpi_omp | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| cmake_foss_2022a_full_serial | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | 2.021960140000000e+00 | -1.999999987845058e-08 | -1.980198007767384e-02 | PASS |
| spack_intel-2022a_serial_omp | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| spack_intel-2022a_impi_omp | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| spack_intel-2023a_serial_omp | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| spack_intel-2023a_impi | 2.021960140000000e+00 | -1.999999987845058e-08 | -1.980198007767384e-02 | PASS |