Match comparison for Bader value 2 (match type 31093)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-5.938003030683320e-02 | 2.880000000000000e-14 | -5.938003030684906e-02 | 9.810827061009123e-15 | -5.938003030683900e-02 | 2.270059140663250e-14 | 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: -0.0593800303068332, precision: 0.0000000000000288Run | Value | Difference | Relative difference | Status |
foss_cmake: [foss2022a-serial, foss-min] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_min_autotools: [foss2022a-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_min_autotools: [foss2023a-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_min_autotools: [foss2023b-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_opt_autotools: [foss2023a-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_autotools: [foss2022a-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_autotools: [foss2023b-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
intel_autotools: [intel2023a-serial] | -5.938003030682600e-02 | 7.195632978351796e-15 | 2.498483673038818e-01 | PASS |
foss_autotools: [foss2023a-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-min-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_cmake: [foss2023a-mpi, foss-min-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_mpi_min_autotools: [foss2022a-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_mpi_min_autotools: [foss2023a-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_debug_autotools: [foss2023a-serial] | -5.938003030685150e-02 | -1.830480211850727e-14 | -6.355834068926135e-01 | PASS |
foss_omp_autotools: [foss2023a-serial] | -5.938003030685000e-02 | -1.679906214135940e-14 | -5.833007687972014e-01 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
intel_omp_autotools: [intel2022a-serial] | -5.938003030685710e-02 | -2.390448949896040e-14 | -8.300169964916806e-01 | PASS |
intel_omp_autotools: [intel2023a-serial] | -5.938003030685200e-02 | -1.880440247958859e-14 | -6.529306416523816e-01 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_ppc_autotools: [foss2022a-serial] | -5.938003030684590e-02 | -1.270511473805414e-14 | -4.411498172935464e-01 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
foss_mpi_debug_autotools: [foss2023a-mpi] | -5.938003030685250e-02 | -1.930400284066991e-14 | -6.702778764121496e-01 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | -5.938003030686170e-02 | -2.850497615725089e-14 | -9.897561165712115e-01 | PASS |
foss_mpi_omp_autotools: [foss2023a-mpi] | -5.938003030684780e-02 | -1.459943277382081e-14 | -5.069247490910003e-01 | PASS |
intel_mpi_omp_autotools: [intel2022a-mpi] | -5.938003030685470e-02 | -2.150363220820850e-14 | -7.466538961183506e-01 | PASS |
foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.938003030681630e-02 | 1.689620665601410e-14 | 5.866738422227118e-01 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.938003030682030e-02 | 1.289940376736354e-14 | 4.478959641445673e-01 | PASS |