Match comparison for Hartree energy (match type 25788)

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Input 18-TiO2.02-gs_kerker.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.172762507000000e+01 2.090000000000000e-07 4.172762507037736e+01 8.679244782903659e-09 4.172762507000000e+01 2.999999892949745e-08 PASS
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Detailed information

Reference: 41.72762507, precision: 0.000000209
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc 4.172762510000000e+01 2.999999537678377e-08 1.435406477358075e-01 PASS
spack_foss-2022a_serial 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_autotools: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 4.172762504000000e+01 -3.000000248221113e-08 -1.435406817330676e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 4.172762510000000e+01 2.999999537678377e-08 1.435406477358075e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2023b-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2022a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2023b-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp 4.172762504000000e+01 -3.000000248221113e-08 -1.435406817330676e-01 PASS
spack_intel-2023a_serial_omp 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial 4.172762509000000e+01 1.999999454938006e-08 9.569375382478498e-02 PASS
spack_intel-2023a_impi 4.172762507000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS