Match comparison for Hartree energy (match type 22837)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 05-lithium.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
7.485500000000001e-04 3.740000000000000e-16 7.485499999999998e-04 1.084202172485504e-19 7.485500000000000e-04 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.0007485500000000001, precision: 0.000000000000000374
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
cmake_foss_2022a_full_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_ppc 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_serial_opt 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
cmake_foss_2022a_min_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
cmake_foss_2022a_min_mpi 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
cmake_foss_2022a_full_mpi 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_mpi 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_mpi_min 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_min_autotools: [foss2022a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_min_autotools: [foss2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_serial_min 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_mpi_min 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_mpi 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_serial_min 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_mpi_opt 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_min_autotools: [foss2023b-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_serial_debug 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023b_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_serial_omp 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_mpi_debug 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_autotools: [foss2022a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_autotools: [foss2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_intel-2022a_serial_omp 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_autotools: [foss2023b-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_mpi_omp 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_intel-2023a_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_intel_autotools: [intel2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_intel-2023a_impi 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_intel-2023a_serial_omp 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_intel-2022a_impi_omp 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_cuda_mpi_omp 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2023a_valgrind 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
spack_foss-2022a_cuda_serial 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 7.485500000000000e-04 -1.084202172485504e-19 -2.898936290068193e-04 PASS