Match comparison for Hartree energy (match type 25867)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 02-cu2_hgh.01_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.110700000000000e+02 5.550000000000000e-02 1.110700086657895e+02 1.964128759034770e-08 1.110700086750000e+02 3.499999934319931e-08 PASS
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Detailed information

Reference: 111.07000000000001, precision: 0.0555
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] 1.110700086600000e+02 8.659999991778022e-06 1.560360358878923e-04 PASS
cmake_foss_2022a_full_serial 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_foss-2022a_ppc 1.110700086600000e+02 8.659999991778022e-06 1.560360358878923e-04 PASS
spack_foss-2023a_serial_opt 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
cmake_foss_2022a_min_serial 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
cmake_foss_2022a_min_mpi 1.110700087100000e+02 8.709999988809614e-06 1.569369367353083e-04 PASS
cmake_foss_2022a_full_mpi 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_foss-2022a_mpi 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_foss-2022a_mpi_min 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_foss-2022a_serial 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss_min_autotools: [foss2022a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss_min_autotools: [foss2023a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2022a_serial_min 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023a_serial 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023a_mpi_min 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_foss-2023a_mpi 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_foss-2023a_serial_min 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023a_mpi_opt 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_min_autotools: [foss2023b-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023a_serial_debug 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023b_serial 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023a_serial_omp 1.110700087000000e+02 8.699999995087637e-06 1.567567566682457e-04 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.110700087000000e+02 8.699999995087637e-06 1.567567566682457e-04 PASS
spack_foss-2023a_mpi_debug 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_autotools: [foss2022a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_autotools: [foss2023a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_intel-2022a_serial_omp 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss_autotools: [foss2023b-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_foss-2023a_mpi_omp 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_intel-2023a_serial 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_intel_autotools: [intel2023a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_intel-2023a_impi 1.110700087100000e+02 8.709999988809614e-06 1.569369367353083e-04 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.110700087100000e+02 8.709999988809614e-06 1.569369367353083e-04 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 1.110700087100000e+02 8.709999988809614e-06 1.569369367353083e-04 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 1.110700087000000e+02 8.699999995087637e-06 1.567567566682457e-04 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 1.110700087000000e+02 8.699999995087637e-06 1.567567566682457e-04 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 1.110700087100000e+02 8.709999988809614e-06 1.569369367353083e-04 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
spack_intel-2023a_serial_omp 1.110700086700000e+02 8.669999999710853e-06 1.562162162110064e-04 PASS
spack_intel-2022a_impi_omp 1.110700086400000e+02 8.639999990123215e-06 1.556756754977156e-04 PASS
spack_foss-2022a_cuda_mpi_omp 1.110700086600000e+02 8.659999991778022e-06 1.560360358878923e-04 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.110700086400000e+02 8.639999990123215e-06 1.556756754977156e-04 PASS
spack_foss-2022a_cuda_serial 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 1.110700086500000e+02 8.649999998056046e-06 1.558558558208297e-04 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.110700086600000e+02 8.659999991778022e-06 1.560360358878923e-04 PASS