Match comparison for Forces [step 2] (match type 23966)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.378889438721823e-01 | 5.830000000000000e-08 | -2.378889326578332e-01 | 3.213495764393324e-08 | -2.378889392641494e-01 | 3.954453375865086e-08 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.2378889438721823, precision: 0.0000000583| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.378889064020842e-01 | 3.747009813537261e-08 | 6.427118033511597e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.378889637961045e-01 | -1.992392220651062e-08 | -3.417482368183641e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.378889064020842e-01 | 3.747009813537261e-08 | 6.427118033511597e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.378889657049817e-01 | -2.183279940171090e-08 | -3.744905557754872e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.378889649039210e-01 | -2.103173868395203e-08 | -3.607502347161583e-01 | PASS |
| spack_foss-2022a_mpi | -2.378889625208290e-01 | -1.864864673795097e-08 | -3.198738720060201e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.378889788086832e-01 | -3.493650091446199e-08 | -5.992538750336533e-01 | PASS |
| spack_foss-2022a_serial | -2.378888997704124e-01 | 4.410176993041581e-08 | 7.564626060105628e-01 | PASS |
| spack_foss-2022a_serial_min | -2.378888997704124e-01 | 4.410176993041581e-08 | 7.564626060105628e-01 | PASS |
| spack_foss-2023a_mpi | -2.378889625208290e-01 | -1.864864673795097e-08 | -3.198738720060201e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.378889788086832e-01 | -3.493650091446199e-08 | -5.992538750336533e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.378888997196157e-01 | 4.415256660283973e-08 | 7.573339039938204e-01 | PASS |
| spack_foss-2023a_serial | -2.378888997704124e-01 | 4.410176993041581e-08 | 7.564626060105628e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.378889637961045e-01 | -1.992392220651062e-08 | -3.417482368183641e-01 | PASS |
| spack_foss-2023a_serial_min | -2.378888997704124e-01 | 4.410176993041581e-08 | 7.564626060105628e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.378889621806616e-01 | -1.830847926043155e-08 | -3.140390953761845e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.378889064020842e-01 | 3.747009813537261e-08 | 6.427118033511597e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.378889243296275e-01 | 1.954255476888100e-08 | 3.352067713358663e-01 | PASS |
| spack_foss-2023b_serial | -2.378888997704124e-01 | 4.410176993041581e-08 | 7.564626060105628e-01 | PASS |
| spack_intel-2023a_serial | -2.378889011975433e-01 | 4.267463898921520e-08 | 7.319835161100376e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.378889020883620e-01 | 4.178382029262906e-08 | 7.167036070776854e-01 | PASS |
| spack_intel-2023a_impi | -2.378889667345525e-01 | -2.286237016368986e-08 | -3.921504316241828e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.378889020883620e-01 | 4.178382029262906e-08 | 7.167036070776854e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.378889665308219e-01 | -2.265863960349002e-08 | -3.886559108660380e-01 | PASS |