Match comparison for Exchange energy (match type 11765)

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Input 17-scfinlcao_alt.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.628949545900000e+02 1.310000000000000e-07 -2.628949483861538e+02 3.109331205545703e-05 -2.628948739400000e+02 8.102000001031229e-05 FAIL

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Detailed information

Reference: -262.89495459, precision: 0.000000131
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-opt-full: [foss2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023b-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-ppc: [foss2022a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023b-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-omp-full: [foss2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-full: [foss2023a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-debug: [foss2023a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2023a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-serial: [intel2023a-serial] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2022a-serial] -2.628949549600000e+02 -3.700000092976552e-07 -2.824427551890498e+00 FAIL
foss-mpi-min: [foss2022a-mpi] -2.628947929200000e+02 1.616700000113269e-04 1.234122137491045e+03 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.628949545900000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS