Match comparison for electronic pol. charge (match type 25499)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 29-pcm_chlorine_anion.04-ground_state-n240.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.841153279999999e+00 3.920000000000000e-07 -7.841153280000002e+00 1.776356839400250e-15 -7.841153280000000e+00 0.000000000000000e+00 PASS
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Detailed information

Reference: -7.8411532799999994, precision: 0.000000392
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
cmake_foss_2022a_full_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2022a_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2022a_ppc -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_mpi_min -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
cmake_foss_2022a_min_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2022a_mpi_min -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_mpi -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
cmake_foss_2022a_full_mpi -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2022a_mpi -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
cmake_foss_2022a_min_mpi -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2022a_cuda_mpi_omp -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_mpi_debug -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_mpi_opt -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2022a_cuda_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_serial_debug -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_serial_min -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_serial_opt -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_mpi_omp -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023b_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_foss-2023a_serial_omp -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_intel-2023a_serial -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_intel-2022a_serial_omp -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_intel-2023a_serial_omp -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_intel-2023a_impi -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS
spack_intel-2022a_impi_omp -7.841153280000000e+00 -8.881784197001252e-16 -2.265761274745217e-09 PASS