Match comparison for Exchange energy (match type 29834)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 12-boron_nitride.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.749451067600000e+02 2.370000000000000e-07 -1.749451066591526e+02 6.330684172161929e-08 -1.749451066250000e+02 1.549999950611891e-07 FAIL

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Detailed information

Reference: -174.94510676, precision: 0.000000237
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
cmake_foss_2022a_full_serial -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2022a_ppc -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
spack_foss-2023a_serial_opt -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
cmake_foss_2022a_min_serial -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
cmake_foss_2022a_min_mpi -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
cmake_foss_2022a_full_mpi -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2022a_mpi -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2022a_mpi_min -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2022a_serial -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2022a_serial_min -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_serial -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_mpi_min -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_mpi -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_serial_min -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_mpi_opt -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_serial_debug -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023b_serial -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_serial_omp -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_mpi_debug -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_intel-2022a_serial_omp -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_foss-2023a_mpi_omp -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_intel-2023a_serial -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
spack_intel-2023a_impi -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.749451066400000e+02 1.199999815071351e-07 5.063290358950848e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -1.749451066300000e+02 1.299999894399662e-07 5.485231621939500e-01 PASS
spack_intel-2023a_serial_omp -1.749451066400000e+02 1.199999815071351e-07 5.063290358950848e-01 PASS
spack_intel-2022a_impi_omp -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
spack_foss-2022a_cuda_mpi_omp -1.749451066400000e+02 1.199999815071351e-07 5.063290358950848e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
spack_foss-2023a_valgrind -1.749451067700000e+02 -1.000000793283107e-08 -4.219412629886526e-02 PASS
spack_foss-2022a_cuda_serial -1.749451067800000e+02 -2.000001586566214e-08 -8.438825259773053e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -1.749451067800000e+02 -2.000001586566214e-08 -8.438825259773053e-02 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -1.749451064700000e+02 2.899999742567161e-07 1.223628583361671e+00 FAIL
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.749451066400000e+02 1.199999815071351e-07 5.063290358950848e-01 PASS