Match comparison for molecule-solvent int. energy (match type 25498)

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Input 29-pcm_chlorine_anion.04-ground_state-n240.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.210196400000000e+00 1.610000000000000e-06 -3.210196400000000e+00 0.000000000000000e+00 -3.210196400000000e+00 0.000000000000000e+00 PASS
Checks do not indicate problems with this match.
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Detailed information

Reference: -3.2101964, precision: 0.00000161
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp -3.210196400000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS