Match comparison for Hartree energy (match type 25788)

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Input 18-TiO2.02-gs_kerker.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.172762507000000e+01 2.090000000000000e-07 4.172762507125000e+01 5.448624130247059e-09 4.172762506500000e+01 1.500000124110556e-08 PASS

Checks for this match

  • OpenMP builders have different values.
  • GPU builders have different values.
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Detailed information

Reference: 41.72762507, precision: 0.000000209
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-ppc: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.172762508000000e+01 1.000000082740371e-08 4.784689391102254e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023b-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
intel_omp_autotools: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023b-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-opt-full: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-serial: [intel2023a-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
intel_mpi_autotools: [intel2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-omp-full: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-opt-full: [foss2023a-mpi] 4.172762508000000e+01 1.000000082740371e-08 4.784689391102254e-02 PASS
foss-mpi-full: [foss2023a-mpi] 4.172762508000000e+01 1.000000082740371e-08 4.784689391102254e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.172762508000000e+01 1.000000082740371e-08 4.784689391102254e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.172762508000000e+01 1.000000082740371e-08 4.784689391102254e-02 PASS
foss-mpi-min: [foss2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-debug: [foss2023a-mpi] 4.172762508000000e+01 1.000000082740371e-08 4.784689391102254e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2022a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-omp-full: [foss2023a-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_mpi_omp_autotools: [foss2022a-cuda-mpi] 4.172762505000000e+01 -2.000000165480742e-08 -9.569378782204507e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS