Match comparison for Force C1 (z) (match type 28323)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
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 | -3.276242858074075e-16 | 1.376234643487083e-15 | -1.519752685000000e-15 | 3.532446685000000e-15 | 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: -0.00000000000000191144932, precision: 0.00000000000000446| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.634701780000000e-15 | -7.232524600000000e-16 | -1.621642286995516e-01 | PASS |
| cmake_foss_2022a_full_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.780967520000000e-15 | -8.695181999999999e-16 | -1.949592376681614e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2022a_serial_min | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2022a_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2023a_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2023a_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2023a_serial_min | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.052199370000000e-15 | -3.140750050000000e-15 | -7.042040470852017e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2023a_serial_debug | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2023b_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.021669850000000e-15 | 8.897794700000001e-16 | 1.995021233183857e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.115556720000000e-15 | 7.958926000000001e-16 | 1.784512556053812e-01 | PASS |
| spack_intel-2023a_serial | 2.012694000000000e-15 | 3.924143320000000e-15 | 8.798527623318386e-01 | PASS |
| spack_intel-2022a_serial_omp | -6.381229980000000e-17 | 1.847637020200000e-15 | 4.142683901793723e-01 | PASS |
| spack_intel-2023a_serial_omp | 8.576944650000000e-16 | 2.769143785000000e-15 | 6.208842567264574e-01 | PASS |
| spack_intel-2023a_impi | -2.272409690000000e-16 | 1.684208351000000e-15 | 3.776251908071749e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.236492270000000e-15 | 6.749570500000000e-16 | 1.513356614349776e-01 | PASS |