Match comparison for Force C1 (z) (match type 29548)
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Input 12-vdw_solid_c6.02-gs_graphene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.911449320000000e-15 | 4.460000000000000e-15 | -5.054361029622223e-16 | 8.956647353846961e-16 | -7.021876049999999e-16 | 2.192297615000000e-15 | PASS |
Checks for this match
- 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: -0.00000000000000191144932, precision: 0.00000000000000446| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2023a_serial_min | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2022a_serial | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2023a_serial | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2023b_serial | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2022a_ppc | -2.894485220000000e-15 | -9.830358999999998e-16 | -2.204116367713004e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.689427540000000e-15 | 2.220217800000001e-16 | 4.978066816143500e-02 | PASS |
| spack_foss-2023a_mpi_min | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.345572980000000e-18 | 1.907103747020000e-15 | 4.276017370000000e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_foss-2022a_mpi | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_foss-2023a_mpi | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.745453420000000e-15 | 1.659959000000001e-16 | 3.721881165919284e-02 | PASS |
| spack_foss-2023a_mpi_debug | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_foss-2023a_mpi_omp | -7.019614820000000e-16 | 1.209487838000000e-15 | 2.711856139013453e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.327363240000000e-16 | 1.578712996000000e-15 | 3.539715237668162e-01 | PASS |
| spack_intel-2023a_serial | -4.296901480000000e-17 | 1.868480305200000e-15 | 4.189417724663678e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.014066240000000e-17 | 1.901308657600000e-15 | 4.263023895964125e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.069759260000000e-15 | -1.583099400000000e-16 | -3.549550224215247e-02 | PASS |
| spack_intel-2022a_serial_omp | -4.463216750000000e-16 | 1.465127645000000e-15 | 3.285039562780269e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.466409390000000e-15 | -5.549600699999998e-16 | -1.244305089686098e-01 | PASS |
| spack_intel-2023a_impi | 1.490110010000000e-15 | 3.401559330000000e-15 | 7.626814641255606e-01 | PASS |