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 | -2.127927464566667e-17 | 7.672621773975029e-17 | 4.770489550000001e-17 | 1.604619215000000e-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_min_serial | -8.153200340000001e-17 | -6.158268340000001e-17 | -1.502016668292683e-01 | PASS |
| cmake_foss_2022a_full_serial | -8.153200340000001e-17 | -6.158268340000001e-17 | -1.502016668292683e-01 | PASS |
| foss-2022a_ppc | 3.816391650000000e-17 | 5.811323650000001e-17 | 1.417396012195122e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.194034420000000e-17 | -7.199102420000001e-17 | -1.755878639024391e-01 | PASS |
| foss-2022a_opt | -7.112366250000000e-17 | -5.117434250000000e-17 | -1.248154695121951e-01 | PASS |
| eb_foss-2022b_libxc6 | -8.326672680000000e-17 | -6.331740680000000e-17 | -1.544326995121951e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.194034420000000e-17 | -7.199102420000001e-17 | -1.755878639024391e-01 | PASS |
| eb_foss-2022a | -1.127570260000000e-16 | -9.280770599999999e-17 | -2.263602585365853e-01 | PASS |
| intel-2022a | 3.816391650000000e-17 | 5.811323650000001e-17 | 1.417396012195122e-01 | PASS |
| foss-2022a_omp | -3.469446950000000e-17 | -1.474514950000000e-17 | -3.596377926829268e-02 | PASS |
| eb_foss-2022a_debug | -1.127570260000000e-16 | -9.280770599999999e-17 | -2.263602585365853e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.058181320000000e-16 | -8.586881200000001e-17 | -2.094361268292683e-01 | PASS |
| eb_foss-2022a_mpi | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| eb_fosscuda-2022a | 1.856154120000000e-16 | 2.055647320000000e-16 | 5.013773951219512e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.081668170000000e-16 | 2.281161370000000e-16 | 5.563808219512195e-01 | PASS |
| foss-2022a_mpi_omp | -1.040834090000000e-17 | 9.540979100000002e-18 | 2.327068073170732e-02 | PASS |
| intel-2022b | 3.816391650000000e-17 | 5.811323650000001e-17 | 1.417396012195122e-01 | PASS |
| spack_foss-2022a_serial | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| spack_foss-2022a_serial_min | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| intel-2022a_omp | 2.081668170000000e-17 | 4.076600170000000e-17 | 9.942927243902440e-02 | PASS |
| intel-2022a_impi | 3.469446950000000e-18 | 2.341876695000000e-17 | 5.711894378048781e-02 | PASS |
| intel-2022a_omp_impi | 9.194034420000000e-17 | 1.118896642000000e-16 | 2.729016200000000e-01 | PASS |
| spack_foss-2022a_mpi | -4.683753390000000e-17 | -2.688821390000000e-17 | -6.558100951219512e-02 | PASS |
| spack_foss-2022a_serial_opt | -8.153200340000001e-17 | -6.158268340000001e-17 | -1.502016668292683e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.642919300000000e-17 | -1.647987300000000e-17 | -4.019481219512195e-02 | PASS |
| intel-2022b_impi | 3.469446950000000e-18 | 2.341876695000000e-17 | 5.711894378048781e-02 | PASS |
| spack_foss-2022a_serial_omp | -3.816391650000000e-17 | -1.821459650000000e-17 | -4.442584512195122e-02 | PASS |
| spack_foss-2022a_mpi_omp | 5.204170430000000e-18 | 2.515349043000000e-17 | 6.134997665853659e-02 | PASS |
| eb_foss-2022a_valgrind | -4.510281040000000e-17 | -2.515349040000000e-17 | -6.134997658536585e-02 | PASS |