Match comparison for Hartree energy (match type 12854)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.266259827000000e+01 1.430000000000000e-07 2.266259825000000e+01 1.284523258835905e-07 2.266259827000000e+01 1.300000000981072e-07 PASS

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Detailed information

Reference: 22.66259827, precision: 0.000000143
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 2.266259814000000e+01 -1.300000000981072e-07 -9.090909097769734e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 2.266259840000000e+01 1.300000000981072e-07 9.090909097769734e-01 PASS