Match comparison for Hartree energy (match type 25788)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 18-TiO2.02-gs_kerker.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.172762507000000e+01 2.090000000000000e-07 4.172762506366666e+01 8.359958161035745e-09 4.172762506000000e+01 1.000000082740371e-08 PASS
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Detailed information

Reference: 41.72762507, precision: 0.000000209
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2023b-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023b-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_autotools: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_opt_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
foss_omp_autotools: [foss2023a-serial] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
intel_omp_autotools: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss_debug_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_ppc_autotools: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 4.172762506000000e+01 -1.000000082740371e-08 -4.784689391102254e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS