Match comparison for electrons-solvent int. energy (match type 12039)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 32-tdpcm_methane.01-ground_state.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.222829400000000e-01 1.110000000000000e-07 2.222829400000000e-01 2.775557561562891e-17 2.222829400000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.22228294, precision: 0.000000111
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp 2.222829400000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS