Match comparison for Bader value 2 (match type 31093)
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
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 | -5.938003030684401e-02 | 1.002775537524911e-14 | -5.938003030683730e-02 | 2.230160500715783e-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: 0.0000000000000288| Run | Value | Difference | Relative difference | Status |
| intel_autotools: [intel2023a-serial] | -5.938003030685780e-02 | -2.460531778325503e-14 | -8.543513119185775e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -5.938003030684220e-02 | -8.999745393367675e-15 | -3.124911594919332e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.938003030685960e-02 | -2.640249130436700e-14 | -9.167531702905209e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -5.938003030685690e-02 | -2.370326157574709e-14 | -8.230299158245518e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -5.938003030684160e-02 | -8.403000517631654e-15 | -2.917708513066546e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -5.938003030683700e-02 | -3.802513859341161e-15 | -1.320317312271236e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -5.938003030682050e-02 | 1.269817584415023e-14 | 4.409088834774385e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -5.938003030684560e-02 | -1.239980340628222e-14 | -4.305487293847992e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -5.938003030685280e-02 | -1.960237527853792e-14 | -6.806380305047889e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] | -5.938003030684900e-02 | -1.579986141919676e-14 | -5.486062992776652e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.938003030681500e-02 | 1.820071870994866e-14 | 6.319693996509951e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.938003030681690e-02 | 1.629946178027808e-14 | 5.659535340374333e-01 | PASS |