Match comparison for Force C1 (z) (match type 28323)
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
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 | 4.592872118965518e-17 | 1.628300956885966e-15 | -1.090851365000000e-15 | 3.234631925000000e-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 |
| foss-2022a_ppc | 7.055132880000000e-16 | 2.616962608000000e-15 | 5.867629165919283e-01 | PASS |
| cmake_foss_2022a_full_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| foss-2022a_opt | 1.384305040000000e-15 | 3.295754360000000e-15 | 7.389583766816143e-01 | PASS |
| intel-2022a | 1.827986050000000e-15 | 3.739435370000000e-15 | 8.384384237668161e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| foss-2022a_omp | -1.884302650000000e-15 | 2.714666999999987e-17 | 6.086697309417011e-03 | PASS |
| cmake_foss_2022a_min_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| eb_fosscuda-2022a | -4.325483290000000e-15 | -2.414033970000000e-15 | -5.412632219730941e-01 | PASS |
| intel-2022a_impi | 1.914059580000000e-15 | 3.825508900000000e-15 | 8.577374215246638e-01 | PASS |
| eb_foss-2022a | 1.384305040000000e-15 | 3.295754360000000e-15 | 7.389583766816143e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.780967520000000e-15 | -8.695181999999999e-16 | -1.949592376681614e-01 | PASS |
| eb_foss-2022a_debug | 1.384305040000000e-15 | 3.295754360000000e-15 | 7.389583766816143e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.565014940000000e-15 | 3.464343800000000e-16 | 7.767586995515695e-02 | PASS |
| eb_foss-2022a_mpi | 2.143780560000000e-15 | 4.055229880000000e-15 | 9.092443677130045e-01 | PASS |
| foss-2022a_mpi_omp | 8.909090249999999e-17 | 2.000540222500000e-15 | 4.485516193946189e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.333417790000000e-15 | 5.780315300000000e-16 | 1.296034820627803e-01 | PASS |
| intel-2022b | 1.827986050000000e-15 | 3.739435370000000e-15 | 8.384384237668161e-01 | PASS |
| eb_foss-2022a_mpi_debug | 2.143780560000000e-15 | 4.055229880000000e-15 | 9.092443677130045e-01 | PASS |
| spack_foss-2022a_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| intel-2022a_omp | -1.743643830000000e-15 | 1.678054900000001e-16 | 3.762454932735428e-02 | PASS |
| spack_foss-2022a_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2022a_serial_debug | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_serial_min | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| intel-2022b_impi | 1.914059580000000e-15 | 3.825508900000000e-15 | 8.577374215246638e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.021669850000000e-15 | 8.897794700000001e-16 | 1.995021233183857e-01 | PASS |
| spack_foss-2022a_serial_opt | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.115556720000000e-15 | 7.958926000000001e-16 | 1.784512556053812e-01 | PASS |
| intel-2022a_omp_impi | -2.216117760000000e-15 | -3.046684399999998e-16 | -6.831130941704031e-02 | PASS |