Match comparison for Bader value 1 (match type 31092)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-3.601191962058630e-02 | 2.170000000000000e-14 | -3.601191962059011e-02 | 8.642585779256962e-15 | -3.601191962058425e-02 | 1.234776170200291e-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: -0.0360119196205863, precision: 0.0000000000000217Run | Value | Difference | Relative difference | Status |
intel-serial: [intel2023a-serial] | -3.601191962059300e-02 | -6.696032617270475e-15 | -3.085729316714504e-01 | PASS |
foss-serial: [foss2023a-serial] | -3.601191962058850e-02 | -2.199629367538591e-15 | -1.013654086423314e-01 | PASS |
foss-serial-debug: [foss2023a-serial] | -3.601191962058850e-02 | -2.199629367538591e-15 | -1.013654086423314e-01 | PASS |
intel-min-parallel: [intel2022a-mpi] | -3.601191962059450e-02 | -8.201772594418344e-15 | -3.779618707105227e-01 | PASS |
ppc: [foss2023a-serial] | -3.601191962057380e-02 | 1.250388681484083e-14 | 5.762159822507292e-01 | PASS |
autotools_foss_mpi_omp: [foss2023a-mpi] | -3.601191962059610e-02 | -9.797718192317006e-15 | -4.515077507980187e-01 | PASS |
foss-parallel-debug: [foss2023a-mpi] | -3.601191962059610e-02 | -9.797718192317006e-15 | -4.515077507980187e-01 | PASS |
intel-parallel: [intel2023a-mpi] | -3.601191962059450e-02 | -8.201772594418344e-15 | -3.779618707105227e-01 | PASS |
foss-parallel: [foss2023a-mpi] | -3.601191962059610e-02 | -9.797718192317006e-15 | -4.515077507980187e-01 | PASS |
foss-min-parallel: [foss2023b-mpi] | -3.601191962059610e-02 | -9.797718192317006e-15 | -4.515077507980187e-01 | PASS |
autotools_intel_mpi_omp: [intel2023a-mpi] | -3.601191962059660e-02 | -1.029731855339833e-14 | -4.745308089123653e-01 | PASS |
address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.601191962059410e-02 | -7.799316747991725e-15 | -3.594155183406325e-01 | PASS |
foss-min-parallel: [foss2022a-mpi] | -3.601191962059610e-02 | -9.797718192317006e-15 | -4.515077507980187e-01 | PASS |
intel-serial-debug: [intel2023a-serial] | -3.601191962059300e-02 | -6.696032617270475e-15 | -3.085729316714504e-01 | PASS |
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.601191962057190e-02 | 1.439820485060750e-14 | 6.635117442676266e-01 | PASS |
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.601191962057280e-02 | 1.350308753700347e-14 | 6.222620984794224e-01 | PASS |