Match comparison for Force (match type 17157)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.516677049999999e-15 | 4.650000000000000e-14 | -3.489808993100000e-15 | 1.421393238435715e-14 | -1.010293890000000e-14 | 3.397782450000000e-14 | PASS |
Checks for this match
- GPU builders have different values. Intel® 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: -0.000000000000005516677049999999, precision: 0.0000000000000465| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.042868520000000e-14 | -2.491200815000000e-14 | -5.357421107526882e-01 | PASS |
| spack_foss-2022a_serial_opt | -5.911011680000000e-15 | -3.943346300000010e-16 | -8.480314623655935e-03 | PASS |
| spack_foss-2022a_serial_min | -1.891782680000000e-15 | 3.624894369999999e-15 | 7.795471763440859e-02 | PASS |
| spack_foss-2022a_serial | -1.891782680000000e-15 | 3.624894369999999e-15 | 7.795471763440859e-02 | PASS |
| foss-2022a_opt | -4.563800790000000e-15 | 9.528762599999989e-16 | 2.049196258064514e-02 | PASS |
| intel-2022b | 1.732729260000000e-14 | 2.284396965000000e-14 | 4.912681645161290e-01 | PASS |
| intel-2022a | 1.732729260000000e-14 | 2.284396965000000e-14 | 4.912681645161290e-01 | PASS |
| spack_foss-2022a_serial_omp | -5.403868880000000e-15 | 1.128081699999991e-16 | 2.425982150537615e-03 | PASS |
| spack_foss-2022a_serial_debug | -1.891782680000000e-15 | 3.624894369999999e-15 | 7.795471763440859e-02 | PASS |
| foss-2022a_omp | 5.606231330000000e-16 | 6.077300183000000e-15 | 1.306946275913979e-01 | PASS |
| spack_foss-2022a_mpi | 5.291085240000000e-16 | 6.045785574000000e-15 | 1.300168940645161e-01 | PASS |
| intel-2022a_omp | 2.387488560000000e-14 | 2.939156265000000e-14 | 6.320766161290323e-01 | PASS |
| intel-2022a_impi | 1.115512080000000e-14 | 1.667179785000000e-14 | 3.585332870967742e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.023500410000000e-15 | -3.506823360000001e-15 | -7.541555612903228e-02 | PASS |
| spack_foss-2022a_mpi_omp | -2.111916400000000e-15 | 3.404760649999999e-15 | 7.322065913978493e-02 | PASS |
| eb_fosscuda-2022a | -3.573311120000000e-14 | -3.021643415000000e-14 | -6.498157881720430e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.911011680000000e-15 | -3.943346300000010e-16 | -8.480314623655935e-03 | PASS |
| cmake_foss_2022a_min_serial | -5.911011680000000e-15 | -3.943346300000010e-16 | -8.480314623655935e-03 | PASS |
| foss-2022a_mpi_omp | -8.939371220000001e-15 | -3.422694170000001e-15 | -7.360632623655917e-02 | PASS |
| cmake_foss_2022a_min_mpi | -9.023500410000000e-15 | -3.506823360000001e-15 | -7.541555612903228e-02 | PASS |
| eb_foss-2022a | 4.838110770000000e-15 | 1.035478782000000e-14 | 2.226836090322581e-01 | PASS |
| eb_foss-2022b_libxc6 | -8.487923200000000e-15 | -2.971246150000001e-15 | -6.389776666666669e-02 | PASS |
| intel-2022a_omp_impi | 8.886916400000000e-15 | 1.440359345000000e-14 | 3.097546978494624e-01 | PASS |
| eb_foss-2022a_debug | 4.838110770000000e-15 | 1.035478782000000e-14 | 2.226836090322581e-01 | PASS |
| eb_foss-2022a_mpi | -3.046090300000000e-15 | 2.470586749999999e-15 | 5.313089784946235e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.491960160000000e-14 | -9.402924550000002e-15 | -2.022134311827957e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.046090300000000e-15 | 2.470586749999999e-15 | 5.313089784946235e-02 | PASS |
| eb_foss-2022a_valgrind | -2.970245400000000e-15 | 2.546431649999999e-15 | 5.476197096774192e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.408076340000000e-14 | -3.856408635000000e-14 | -8.293351903225806e-01 | PASS |
| intel-2022b_impi | 1.115512080000000e-14 | 1.667179785000000e-14 | 3.585332870967742e-01 | PASS |