Match comparison for Force C1 (z) (match type 28323)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
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 | -1.546163407500000e-16 | 1.821233328515800e-15 | -1.515963055000000e-15 | 3.659743615000000e-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 |
| eb_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 |
| cmake_foss_2022a_min_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| eb_fosscuda-2022a | -5.175706670000000e-15 | -3.264257350000000e-15 | -7.318962668161434e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-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_intel-2022a | 1.827986050000000e-15 | 3.739435370000000e-15 | 8.384384237668161e-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_intel-2022a_omp | -1.743643830000000e-15 | 1.678054900000001e-16 | 3.762454932735428e-02 | PASS |
| eb_foss-2022a_mpi_debug | 2.143780560000000e-15 | 4.055229880000000e-15 | 9.092443677130045e-01 | PASS |
| eb_intel-2022a_impi | 1.914059580000000e-15 | 3.825508900000000e-15 | 8.577374215246638e-01 | PASS |
| spack_foss-2022a_serial | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-01 | PASS |
| spack_foss-2022a_mpi | -4.234305040000000e-16 | 1.488018816000000e-15 | 3.336365058295964e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.856290340000000e-15 | -1.944841020000000e-15 | -4.360630089686099e-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_debug | 6.448711810000000e-16 | 2.556320501000000e-15 | 5.731660316143498e-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 |
| eb_intel-2022a_omp_impi | -2.216117760000000e-15 | -3.046684399999998e-16 | -6.831130941704031e-02 | PASS |