Match comparison for Total energy (match type 12944)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
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 | 2.021960144814815e+00 | 1.685897278629820e-08 | 2.021960145000000e+00 | 3.500000000933312e-08 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 2.02196016, precision: 0.00000101| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2022a_ppc | 2.021960110000000e+00 | -4.999999969612645e-08 | -4.950495019418460e-02 | PASS |
| cmake_foss_2022a_min_serial | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| cmake_foss_2022a_min_mpi | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| cmake_foss_2022a_full_mpi | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2022a_mpi_min | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2022a_mpi | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2022a_serial | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2022a_serial_min | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_mpi | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_mpi_min | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial_min | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_mpi_opt | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_mpi_debug | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial_opt | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023b_serial | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial_debug | 2.021960150000000e+00 | -9.999999939225290e-09 | -9.900990038836920e-03 | PASS |
| spack_foss-2023a_serial_omp | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | 2.021960110000000e+00 | -4.999999969612645e-08 | -4.950495019418460e-02 | PASS |
| spack_foss-2023a_mpi_omp | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | 2.021960130000000e+00 | -2.999999981767587e-08 | -2.970297011651076e-02 | PASS |
| spack_intel-2023a_impi | 2.021960130000000e+00 | -2.999999981767587e-08 | -2.970297011651076e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.021960180000000e+00 | 2.000000032253979e-08 | 1.980198051736613e-02 | PASS |
| spack_intel-2023a_serial_omp | 2.021960110000000e+00 | -4.999999969612645e-08 | -4.950495019418460e-02 | PASS |
| spack_intel-2022a_impi_omp | 2.021960110000000e+00 | -4.999999969612645e-08 | -4.950495019418460e-02 | PASS |
| spack_foss-2022a_cuda_serial | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |