Match comparison for Hartree energy (match type 29585)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 07-mgga.05-br89_primitive.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.122754400000000e+01 5.610000000000000e-08 -1.122754400818182e+01 3.856946398325477e-09 -1.122754400500000e+01 5.000000413701855e-09 PASS

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Detailed information

Reference: -11.227544, precision: 0.0000000561
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2022a_ppc -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
cmake_foss_2022a_min_serial -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
cmake_foss_2022a_min_mpi -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
cmake_foss_2022a_full_mpi -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2022a_mpi -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2022a_mpi_min -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2022a_serial -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2022a_serial_min -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_serial -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_mpi_min -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_mpi -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_serial_min -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_mpi_opt -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_serial_debug -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023b_serial -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_serial_omp -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_mpi_debug -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_intel-2022a_serial_omp -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2023b-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_foss-2023a_mpi_omp -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_intel-2023a_serial -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_intel-2023a_serial_omp -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
spack_intel-2022a_impi_omp -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-01 PASS