Match comparison for External energy (match type 12951)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.030990720000000e+00 | 4.020000000000000e-07 | 8.030990647499999e+00 | 4.264680500955642e-08 | 8.030990670000001e+00 | 4.999999969612645e-08 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 8.03099072, precision: 0.000000402| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| cmake_foss_2022a_full_mpi | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| cmake_foss_2022a_min_serial | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| cmake_foss_2022a_min_mpi | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.030990720000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2022a_mpi_min | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2022a_serial | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2022a_serial_min | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_mpi | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_mpi_min | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2022a_cuda_serial | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_serial | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_mpi_opt | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_serial_min | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_mpi_omp | 8.030990720000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_foss-2023a_serial_omp | 8.030990720000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | 8.030990620000001e+00 | -9.999999939225290e-08 | -2.487562173936639e-01 | PASS |
| spack_intel-2023a_serial | 8.030990650000000e+00 | -7.000000046275545e-08 | -1.741293543849638e-01 | PASS |
| spack_intel-2022a_serial_omp | 8.030990720000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | 8.030990650000000e+00 | -7.000000046275545e-08 | -1.741293543849638e-01 | PASS |
| spack_intel-2023a_serial_omp | 8.030990720000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 8.030990720000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |