Match comparison for Exchange energy (match type 26822)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.459613553999999e+01 3.730000000000000e-07 -7.459613554000001e+01 0.000000000000000e+00 -7.459613554000001e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: -74.59613553999999, precision: 0.000000373
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_min_autotools: [foss2022a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cmake: [foss2022a-serial, foss-full] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_min_autotools: [foss2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_min_autotools: [foss2023b-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_autotools: [foss2022a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_autotools: [foss2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_opt_autotools: [foss2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
intel_autotools: [intel2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_autotools: [foss2023b-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_omp_autotools: [foss2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_autotools: [foss2022a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_autotools: [foss2023a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
intel_omp_autotools: [intel2022a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
intel_omp_autotools: [intel2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_ppc_autotools: [foss2022a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_debug_autotools: [foss2023a-serial] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
intel_mpi_autotools: [intel2023a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -7.459613554000001e+01 -1.421085471520200e-14 -3.809880620697588e-08 PASS