Match comparison for Total force (match type 23757)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.994932000000000e-17 | 4.100000000000000e-16 | -1.337182682291666e-17 | 8.321472785154367e-17 | 7.459310940000002e-17 | 1.665334536000000e-16 | PASS |
Checks for this match
- GPU builders have different values.
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.000000000000000019949320000000002, precision: 0.00000000000000041| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -8.153200340000001e-17 | -6.158268340000001e-17 | -1.502016668292683e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.194034420000000e-17 | -7.199102420000001e-17 | -1.755878639024391e-01 | PASS |
| cmake_foss_2022a_min_serial | -8.153200340000001e-17 | -6.158268340000001e-17 | -1.502016668292683e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.194034420000000e-17 | -7.199102420000001e-17 | -1.755878639024391e-01 | PASS |
| spack_foss-2022a_serial_min | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_foss-2022a_serial | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_foss-2022a_mpi_min | -4.683753390000000e-17 | -2.688821390000000e-17 | -6.558100951219512e-02 | PASS |
| spack_foss-2022a_mpi | -4.683753390000000e-17 | -2.688821390000000e-17 | -6.558100951219512e-02 | PASS |
| spack_foss-2023a_mpi_min | -4.683753390000000e-17 | -2.688821390000000e-17 | -6.558100951219512e-02 | PASS |
| spack_foss-2023a_mpi | -4.683753390000000e-17 | -2.688821390000000e-17 | -6.558100951219512e-02 | PASS |
| spack_foss-2023a_serial | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_foss-2023a_mpi_opt | -9.194034420000000e-17 | -7.199102420000001e-17 | -1.755878639024391e-01 | PASS |
| spack_foss-2023a_serial_min | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_foss-2023a_serial_opt | -8.153200340000001e-17 | -6.158268340000001e-17 | -1.502016668292683e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.469446950000000e-18 | 2.341876695000000e-17 | 5.711894378048781e-02 | PASS |
| spack_foss-2023a_mpi_omp | -2.428612870000000e-17 | -4.336808699999997e-18 | -1.057758219512194e-02 | PASS |
| spack_foss-2023b_serial | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_intel-2022a_serial_omp | 3.989863990000000e-17 | 5.984795990000000e-17 | 1.459706339024390e-01 | PASS |
| spack_intel-2023a_serial | 1.214306430000000e-17 | 3.209238430000000e-17 | 7.827410804878049e-02 | PASS |
| spack_intel-2023a_serial_omp | 3.989863990000000e-17 | 5.984795990000000e-17 | 1.459706339024390e-01 | PASS |
| spack_intel-2023a_impi | -1.561251130000000e-17 | 4.336808700000000e-18 | 1.057758219512195e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.081668170000000e-16 | 2.281161370000000e-16 | 5.563808219512195e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.411265630000000e-16 | 2.610758830000000e-16 | 6.367704463414634e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.418476860000000e-17 | 8.413408860000000e-17 | 2.052050941463415e-01 | PASS |