Match comparison for Exchange energy (match type 13973)

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Input 14-carbon_dojo_psp8.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.739974037000000e+01 2.370000000000000e-07 -4.739974037000001e+01 7.105427357601002e-15 -4.739974037000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: -47.399740369999996, precision: 0.000000237
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_min -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_ppc -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_opt -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023b_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_min -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_mpi_min -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_omp -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_mpi -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_opt -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_debug -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_intel_autotools: [intel2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_cuda_mpi_omp -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_debug -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_min_autotools: [foss2022a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_min_autotools: [foss2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_autotools: [foss2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_min_autotools: [foss2023b-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_autotools: [foss2023b-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_autotools: [foss2022a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_omp -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_min_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_full_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_min_mpi -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2022a_impi_omp -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_full_mpi -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2023a_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2022a_serial_omp -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2023a_impi -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_cuda_serial -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -4.739974037000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS