Match comparison for Force C1 (z) (match type 28323)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
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 | -5.885451462500001e-16 | 4.565880110584762e-16 | -9.268068060000001e-16 | 6.980014940000000e-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: -0.00000000000000191144932, precision: 0.00000000000000446| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.288053120000000e-16 | 1.682644008000000e-15 | 3.772744412556054e-01 | PASS |
| spack_foss-2023a_serial_min | -2.288053120000000e-16 | 1.682644008000000e-15 | 3.772744412556054e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.288053120000000e-16 | 1.682644008000000e-15 | 3.772744412556054e-01 | PASS |
| spack_foss-2022a_serial | -2.288053120000000e-16 | 1.682644008000000e-15 | 3.772744412556054e-01 | PASS |
| spack_foss-2022a_ppc | -1.193330520000000e-15 | 7.181188000000001e-16 | 1.610131838565023e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.034693930000000e-16 | 1.607979927000000e-15 | 3.605336159192825e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.034693930000000e-16 | 1.607979927000000e-15 | 3.605336159192825e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.288053120000000e-16 | 1.682644008000000e-15 | 3.772744412556054e-01 | PASS |
| spack_foss-2022a_mpi_opt | -3.034693930000000e-16 | 1.607979927000000e-15 | 3.605336159192825e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.152540170000000e-15 | 7.589091500000001e-16 | 1.701590022421525e-01 | PASS |
| spack_foss-2022a_mpi | -3.034693930000000e-16 | 1.607979927000000e-15 | 3.605336159192825e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.258741000000000e-15 | 6.527083200000000e-16 | 1.463471569506727e-01 | PASS |
| spack_intel-2023a_impi | -6.779543540000000e-16 | 1.233494966000000e-15 | 2.765683780269059e-01 | PASS |
| spack_foss-2022a_mpi_debug | -3.034693930000000e-16 | 1.607979927000000e-15 | 3.605336159192825e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.624808300000000e-15 | 2.866410200000001e-16 | 6.426928699551571e-02 | PASS |
| spack_intel-2022a_impi_omp | -8.479744710000000e-16 | 1.063474849000000e-15 | 2.384472755605381e-01 | PASS |