Match comparison for Total energy (match type 11888)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 15-fullerene_stdlcao.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.406616895700000e+02 1.700000000000000e-07 -3.406616895666666e+02 4.714048948092020e-09 -3.406616895650000e+02 5.000003966415534e-09 PASS
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Detailed information

Reference: -340.66168956999996, precision: 0.00000017
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
cmake_foss_2022a_full_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_autotools: [foss2022a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_autotools: [foss2023b-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2023a_serial_min -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2022a_serial_min -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2022a_ppc -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2022a_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_foss-2023a_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
cmake_foss_2022a_min_mpi -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2022a_mpi_min -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_foss-2023a_mpi_min -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
cmake_foss_2022a_full_mpi -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
cmake_foss_2022a_min_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2023a_mpi_opt -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2023a_serial_debug -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2022a_mpi -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_foss-2023a_mpi -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2023a_mpi_debug -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_foss-2023a_mpi_omp -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2022a_cuda_mpi_omp -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_foss-2023a_serial_opt -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2023a_serial_omp -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_foss-2023b_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_intel-2023a_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_intel-2022a_serial_omp -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_intel-2023a_serial_omp -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_intel-2023a_impi -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
spack_intel-2022a_impi_omp -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
spack_foss-2022a_cuda_serial -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.406616895600000e+02 9.999951089412207e-09 5.882324170242475e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.406616895700000e+02 -5.684341886080801e-14 -3.343730521224001e-07 PASS