Match comparison for Intersite Occupation Si2 NN9 s-s (match type 30022)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.513000000000000e-05 | 4.810000000000000e-07 | 4.508642857142858e-05 | 2.239487915227294e-08 | 4.507500000000000e-05 | 5.500000000000201e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00004513, precision: 0.000000481| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_serial_min | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2022a_ppc | 4.502000000000000e-05 | -1.100000000000040e-07 | -2.286902286902371e-01 | PASS |
| spack_foss-2022a_serial | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_serial | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_serial_opt | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023b_serial | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_mpi_min | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2022a_mpi_min | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_serial_omp | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2022a_mpi | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_mpi_opt | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_serial_debug | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_mpi | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 4.511000000000000e-05 | -2.000000000000320e-08 | -4.158004158004822e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 4.511000000000000e-05 | -2.000000000000320e-08 | -4.158004158004822e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 4.502000000000000e-05 | -1.100000000000040e-07 | -2.286902286902371e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.513000000000000e-05 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_foss-2023a_mpi_omp | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| spack_intel-2022a_impi_omp | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| cmake_foss_2022a_full_mpi | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| spack_intel-2023a_serial | 4.511000000000000e-05 | -2.000000000000320e-08 | -4.158004158004822e-02 | PASS |
| spack_intel-2022a_serial_omp | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| spack_intel-2023a_impi | 4.511000000000000e-05 | -2.000000000000320e-08 | -4.158004158004822e-02 | PASS |
| spack_foss-2022a_cuda_serial | 4.513000000000000e-05 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_valgrind | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_valgrind_autotools: [foss2023a-serial] | 4.504000000000000e-05 | -9.000000000000083e-08 | -1.871101871101888e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 4.513000000000000e-05 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 4.513000000000000e-05 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |